N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O3S2/c21-16-5-9-18(10-6-16)27-15-20(24)22-17-7-11-19(12-8-17)28(25,26)23-13-3-1-2-4-14-23/h5-12H,1-4,13-15H2,(H,22,24)