[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-(o-tolyl)methanone Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H28N2O3S/c1-17-7-5-6-8-20(17)21(25)23-13-15-24(16-14-23)28(26,27)19-11-9-18(10-12-19)22(2,3)4/h5-12H,13-16H2,1-4H3