3-(azepan-1-ylcarbonyl)-N-(2,5-dimethylphenyl)-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2,5-dimethylphenyl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2,5-dimethylphenyl)-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-4-methoxy-benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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