(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-mesylpiperazino)prop-2-en-1-one Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3S/c1-31(29,30)26-16-14-25(15-17-26)22(28)13-12-20-18-27(21-10-6-3-7-11-21)24-23(20)19-8-4-2-5-9-19/h2-13,18H,14-17H2,1H3/b13-12+