4-(azepan-1-ylcarbonyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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