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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzylsulfanyl-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(phenylmethylthio)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzylsulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(benzylthio)propionamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S2/c25-22(14-17-28-18-19-8-4-3-5-9-19)23-20-10-12-21(13-11-20)29(26,27)24-15-6-1-2-7-16-24/h3-5,8-13H,1-2,6-7,14-18H2,(H,23,25)