4-methoxy-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: 4-methoxy-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 4-methoxy-3-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 4-methoxy-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: 4-methoxy-3-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C21H27N3O4S/c1-16-4-6-17(7-5-16)15-23-10-3-11-24(13-12-23)21(25)19-14-18(29(22,26)27)8-9-20(19)28-2/h4-9,14H,3,10-13,15H2,1-2H3,(H2,22,26,27)