[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C=CC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O5S/c28-23(26-14-16-27(17-15-26)33(30,31)21-7-2-1-3-8-21)18-32-24(29)13-12-20-11-10-19-6-4-5-9-22(19)25-20/h1-13H,14-18H2/b13-12+