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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitrophenyl)acetamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c24-20(14-16-8-10-18(11-9-16)23(25)26)21-17-6-5-7-19(15-17)29(27,28)22-12-3-1-2-4-13-22/h5-11,15H,1-4,12-14H2,(H,21,24)