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

Systemtic Name: 4-chloranyl-N,N-dimethyl-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-chloro-N,N-dimethyl-benzenesulfonamide CAS Name: 4-chloro-N,N-dimethyl-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-chloro-N,N-dimethyl-benzenesulfonamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-23(2)29(27,28)18-9-10-20(22)19(15-18)21(26)25-12-6-11-24(13-14-25)16-17-7-4-3-5-8-17/h3-5,7-10,15H,6,11-14,16H2,1-2H3