3-(azepan-1-ylcarbonyl)-4-methoxy-N-(phenylmethyl)benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-27-20-12-11-18(28(25,26)22-16-17-9-5-4-6-10-17)15-19(20)21(24)23-13-7-2-3-8-14-23/h4-6,9-12,15,22H,2-3,7-8,13-14,16H2,1H3