[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 3-quinolin-8-ylprop-2-enoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 3-quinolin-8-ylprop-2-enoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 3-(8-quinolyl)prop-2-enoate CAS Name: 3-(8-quinolinyl)-2-propenoic acid [1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 3-quinolin-8-ylprop-2-enoate Traditional Name: 3-(8-quinolyl)acrylic acid [2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C=CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H25N3O5S/c1-19(33-23(29)13-12-21-8-5-7-20-9-6-14-26-24(20)21)25(30)27-15-17-28(18-16-27)34(31,32)22-10-3-2-4-11-22/h2-14,19H,15-18H2,1H3