5-(azepan-1-ylcarbonyl)-N-(4-methoxyphenyl)-2-methyl-benzenesulfonamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-(4-methoxyphenyl)-2-methyl-benzenesulfonamide Openeye Name: 5-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-2-methyl-benzenesulfonamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide IUPAC Name: 5-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide Traditional Name: 5-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-2-methyl-benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)S(=O)(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)S(=O)(=O)NC3=CC=C(C=C3)OC

InChI

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