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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-16-7-12-19(15-20(16)21(24)23-13-5-3-4-6-14-23)28(25,26)22-17-8-10-18(27-2)11-9-17/h7-12,15,22H,3-6,13-14H2,1-2H3