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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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