N-tert-butyl-2-chloranyl-5-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-tert-butyl-2-chloranyl-5-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-N-tert-butyl-2-chloro-benzenesulfonamide CAS Name: N-tert-butyl-2-chloro-5-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-N-tert-butyl-2-chlorobenzenesulfonamide Traditional Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-N-tert-butyl-2-chloro-benzenesulfonamide Formula: C23H30ClN3O3S MolecularWeight: 464.0206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O3S/c1-23(2,3)25-31(29,30)21-16-19(10-11-20(21)24)22(28)27-13-7-12-26(14-15-27)17-18-8-5-4-6-9-18/h4-6,8-11,16,25H,7,12-15,17H2,1-3H3