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

Systemtic Name: 4-chloranyl-N-methyl-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-chloro-N-methyl-benzenesulfonamide CAS Name: 4-chloro-N-methyl-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-chloro-N-methylbenzenesulfonamide Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-chloro-N-methyl-benzenesulfonamide Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3S/c1-22-28(26,27)17-8-9-19(21)18(14-17)20(25)24-11-5-10-23(12-13-24)15-16-6-3-2-4-7-16/h2-4,6-9,14,22H,5,10-13,15H2,1H3