3-(azepan-1-ylcarbonyl)-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCCCCC3

InChI

InChI=1S/C20H23N3O6S/c1-29-19-10-9-17(14-18(19)20(24)22-11-4-2-3-5-12-22)30(27,28)21-15-7-6-8-16(13-15)23(25)26/h6-10,13-14,21H,2-5,11-12H2,1H3