9GD

2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid


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Chemical Component Summary

Name2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid
Identifiers2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid
FormulaC32 H39 Cl N4 O6 S2
Molecular Weight675.258
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CN(C2CCCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(c(c4)N)C(=O)O)CC5CCNCC5)Cl
InChIInChI=1S/C32H39ClN4O6S2/c33-26-8-5-23(6-9-26)22-37(27-3-1-2-4-27)45(42,43)29-12-10-28(11-13-29)44(40,41)36(20-24-15-17-35-18-16-24)21-25-7-14-30(32(38)39)31(34)19-25/h5-14,19,24,27,35H,1-4,15-18,20-22,34H2,(H,38,39)
InChIKeyAJWFYWFNVBQYRG-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count84
Chiral Atom Count0
Bond Count88
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 124080851