(E)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylsulfonylpiperazino)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3S/c28-23(12-11-21-17-24-27(18-21)22-9-5-2-6-10-22)25-13-15-26(16-14-25)31(29,30)19-20-7-3-1-4-8-20/h1-12,17-18H,13-16,19H2/b12-11+