(E)-1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CN(N=C3)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CN(N=C3)C)C)C(C)(C)C

InChI

InChI=1S/C23H32N4O3S/c1-17-13-20(23(3,4)5)14-18(2)22(17)31(29,30)27-11-9-26(10-12-27)21(28)8-7-19-15-24-25(6)16-19/h7-8,13-16H,9-12H2,1-6H3/b8-7+