(E)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-(p-tolylsulfonyl)indol-3-yl]-1-[4-(2-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-pyridyl)piperazino]-3-(1-tosylindol-3-yl)prop-2-en-1-one Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=CC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)/C=C/C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H26N4O3S/c1-21-9-12-23(13-10-21)35(33,34)31-20-22(24-6-2-3-7-25(24)31)11-14-27(32)30-18-16-29(17-19-30)26-8-4-5-15-28-26/h2-15,20H,16-19H2,1H3/b14-11+