3-[4-(2-methylphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 3-[4-(2-methylphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 3-[4-(o-tolyl)piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 3-[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 3-[4-(2-methylphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 3-[4-(o-tolyl)piperazino]sulfonylbenzenesulfonamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C17H21N3O4S2/c1-14-5-2-3-8-17(14)19-9-11-20(12-10-19)26(23,24)16-7-4-6-15(13-16)25(18,21)22/h2-8,13H,9-12H2,1H3,(H2,18,21,22)