[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H27N3O5S/c1-19-10-12-22(17-23(19)35(32,33)29-15-3-2-4-16-29)28-24(30)18-34-25(31)13-11-21-8-5-7-20-9-6-14-27-26(20)21/h5-14,17H,2-4,15-16,18H2,1H3,(H,28,30)/b13-11+