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

Systemtic Name: (4-tert-butylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-(4-tosylpiperazino)methanone Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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