3-(azepan-1-ylcarbonyl)-N-(3,5-dimethylphenyl)-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(3,5-dimethylphenyl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(3,5-dimethylphenyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(3,5-dimethylphenyl)-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(3,5-dimethylphenyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(3,5-dimethylphenyl)-4-methoxy-benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H28N2O4S/c1-16-12-17(2)14-18(13-16)23-29(26,27)19-8-9-21(28-3)20(15-19)22(25)24-10-6-4-5-7-11-24/h8-9,12-15,23H,4-7,10-11H2,1-3H3