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

Systemtic Name: (E)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-(p-tolylsulfonyl)indol-3-yl]-1-[2-(2-pyridyl)pyrrolidin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-[2-(2-pyridinyl)-1-pyrrolidinyl]-2-propen-1-one IUPAC Name: (E)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-(2-pyridin-2-ylpyrrolidin-1-yl)prop-2-en-1-one Traditional Name: (E)-1-[2-(2-pyridyl)pyrrolidino]-3-(1-tosylindol-3-yl)prop-2-en-1-one Formula: C27H25N3O3S MolecularWeight: 471.5707

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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)N4CCCC4C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)/C=C/C(=O)N4CCCC4C5=CC=CC=N5

InChI

InChI=1S/C27H25N3O3S/c1-20-11-14-22(15-12-20)34(32,33)30-19-21(23-7-2-3-9-25(23)30)13-16-27(31)29-18-6-10-26(29)24-8-4-5-17-28-24/h2-5,7-9,11-17,19,26H,6,10,18H2,1H3/b16-13+