[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone Openeye Name: (3-isobutoxyphenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-[3-(2-methylpropoxy)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone Traditional Name: (3-isobutoxyphenyl)-(4-tosylpiperazino)methanone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-17(2)16-28-20-6-4-5-19(15-20)22(25)23-11-13-24(14-12-23)29(26,27)21-9-7-18(3)8-10-21/h4-10,15,17H,11-14,16H2,1-3H3