N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c24-20(15-29-18-10-8-17(9-11-18)23(25)26)21-16-6-5-7-19(14-16)30(27,28)22-12-3-1-2-4-13-22/h5-11,14H,1-4,12-13,15H2,(H,21,24)