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

Systemtic Name: N-methyl-N-phenyl-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-methyl-N-phenyl-benzenesulfonamide CAS Name: N-methyl-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-N-phenylbenzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-methyl-N-phenyl-benzenesulfonamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-27(24-13-6-3-7-14-24)33(31,32)25-15-8-12-23(20-25)26(30)29-17-9-16-28(18-19-29)21-22-10-4-2-5-11-22/h2-8,10-15,20H,9,16-19,21H2,1H3