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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-(2-methyl-5-nitro-phenyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(2-methyl-5-nitro-phenyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-(2-methyl-5-nitrophenyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(2-methyl-5-nitrophenyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(2-methyl-5-nitro-phenyl)benzenesulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H25N3O6S/c1-15-7-8-16(24(26)27)13-19(15)22-31(28,29)17-9-10-20(30-2)18(14-17)21(25)23-11-5-3-4-6-12-23/h7-10,13-14,22H,3-6,11-12H2,1-2H3