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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O5S/c1-27-17-9-7-8-16(14-17)22-29(25,26)18-10-11-20(28-2)19(15-18)21(24)23-12-5-3-4-6-13-23/h7-11,14-15,22H,3-6,12-13H2,1-2H3