(E)-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-methylpyrazol-3-yl)-1-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-3-(2-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-methylpyrazol-3-yl)-1-[4-(4-sec-butylphenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=NN3C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=NN3C

InChI

InChI=1S/C21H28N4O3S/c1-4-17(2)18-5-8-20(9-6-18)29(27,28)25-15-13-24(14-16-25)21(26)10-7-19-11-12-22-23(19)3/h5-12,17H,4,13-16H2,1-3H3/b10-7+