[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C27H25N3O5S2 MolecularWeight: 535.6345

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C27H25N3O5S2/c31-26(28-19-10-12-20(13-11-19)37(33,34)30-14-4-1-5-15-30)18-35-27(32)22-17-24(25-9-6-16-36-25)29-23-8-3-2-7-21(22)23/h2-3,6-13,16-17H,1,4-5,14-15,18H2,(H,28,31)