(E)-3-pyridin-3-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-pyridin-3-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-pyridyl)-1-[4-(3-pyridylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-pyridinyl)-1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-pyridin-3-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-pyridyl)-1-[4-(3-pyridylsulfonyl)piperazino]prop-2-en-1-one Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S/c22-17(6-5-15-3-1-7-18-13-15)20-9-11-21(12-10-20)25(23,24)16-4-2-8-19-14-16/h1-8,13-14H,9-12H2/b6-5+