[1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C28H26N4O5S/c1-19(27(33)30-20-11-13-21(14-12-20)38(35,36)32-16-6-7-17-32)37-28(34)23-18-26(25-10-4-5-15-29-25)31-24-9-3-2-8-22(23)24/h2-5,8-15,18-19H,6-7,16-17H2,1H3,(H,30,33)