(4-methylphenyl)-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(4-isobutylphenyl)sulfonylpiperazin-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-methylphenyl)-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(4-isobutylphenyl)sulfonylpiperazino]-(p-tolyl)methanone Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C22H28N2O3S/c1-17(2)16-19-6-10-21(11-7-19)28(26,27)24-14-12-23(13-15-24)22(25)20-8-4-18(3)5-9-20/h4-11,17H,12-16H2,1-3H3