3-(azepan-1-ylcarbonyl)-N-(2-ethylphenyl)-4-methoxy-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-3-17-10-6-7-11-20(17)23-29(26,27)18-12-13-21(28-2)19(16-18)22(25)24-14-8-4-5-9-15-24/h6-7,10-13,16,23H,3-5,8-9,14-15H2,1-2H3