2-chloranyl-N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-(2,3-dimethylphenyl)-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 2-chloro-N-(2,3-dimethylphenyl)-5-[oxo-(4-phenyl-1-piperazinyl)methyl]benzenesulfonamide IUPAC Name: 2-chloro-N-(2,3-dimethylphenyl)-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 2-chloro-N-(2,3-dimethylphenyl)-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide Formula: C25H26ClN3O3S MolecularWeight: 484.01024

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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)C4=CC=CC=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O3S/c1-18-7-6-10-23(19(18)2)27-33(31,32)24-17-20(11-12-22(24)26)25(30)29-15-13-28(14-16-29)21-8-4-3-5-9-21/h3-12,17,27H,13-16H2,1-2H3