3-(azepan-1-ylcarbonyl)-N-[(2-chlorophenyl)methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-[(2-chlorophenyl)methyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-[(2-chlorophenyl)methyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(2-chlorobenzyl)-4-methoxy-benzenesulfonamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2Cl)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2Cl)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H25ClN2O4S/c1-28-20-11-10-17(14-18(20)21(25)24-12-6-2-3-7-13-24)29(26,27)23-15-16-8-4-5-9-19(16)22/h4-5,8-11,14,23H,2-3,6-7,12-13,15H2,1H3