Chemical Component Summary

NameN-[(4aS,6S,8aR)-2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chlorobenzamide
IdentifiersN-[(4aS,6S,8aR)-2-azanyl-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chloranyl-benzamide
FormulaC15 H18 Cl N3 O S
Molecular Weight323.841
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@@H]3[C@H](C2)CSC(=N3)N
InChIInChI=1S/C15H18ClN3OS/c16-11-3-1-2-9(6-11)14(20)18-12-4-5-13-10(7-12)8-21-15(17)19-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,19)(H,18,20)/t10-,12+,13-/m1/s1
InChIKeyTUSBLKXHGGIFCU-KGYLQXTDSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count3
Bond Count41
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 91799649