2-chloranyl-N-(2,3-dimethylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(2,3-dimethylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide CAS Name: 2-chloro-N-(2,3-dimethylphenyl)-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide Formula: C26H28ClN3O3S MolecularWeight: 498.03682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C26H28ClN3O3S/c1-19-7-6-10-24(20(19)2)28-34(32,33)25-17-22(11-12-23(25)27)26(31)30-15-13-29(14-16-30)18-21-8-4-3-5-9-21/h3-12,17,28H,13-16,18H2,1-2H3