N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-benzenesulfonamide Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-N-sec-butyl-benzenesulfonamide CAS Name: N-butan-2-yl-4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-N-sec-butyl-benzenesulfonamide Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C22H31N3O4S2/c1-5-18(3)23-30(26,27)20-9-11-21(12-10-20)31(28,29)25-15-13-24(14-16-25)22-8-6-7-17(2)19(22)4/h6-12,18,23H,5,13-16H2,1-4H3