3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-methyl-benzenesulfonamide

Systemtic Name: 3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-methyl-benzenesulfonamide Openeye Name: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-N-methyl-benzenesulfonamide CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N-methylbenzenesulfonamide IUPAC Name: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-N-methylbenzenesulfonamide Traditional Name: N-methyl-3-(4-p-anisyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O4S/c1-22-29(26,27)20-6-3-5-18(15-20)21(25)24-12-4-11-23(13-14-24)16-17-7-9-19(28-2)10-8-17/h3,5-10,15,22H,4,11-14,16H2,1-2H3