N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylsulfanyl-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(phenylthio)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylsulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(phenylthio)propionamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c24-21(14-17-27-19-8-4-3-5-9-19)22-18-10-12-20(13-11-18)28(25,26)23-15-6-1-2-7-16-23/h3-5,8-13H,1-2,6-7,14-17H2,(H,22,24)