N-cyclopropyl-2-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-(3-methylsulfonylanilino)-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-(3-methylsulfonylanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-(3-mesylanilino)ethyl]thio]cinchoninamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H21N3O4S2/c1-31(28,29)16-6-4-5-15(11-16)23-20(26)13-30-21-12-18(22(27)24-14-9-10-14)17-7-2-3-8-19(17)25-21/h2-8,11-12,14H,9-10,13H2,1H3,(H,23,26)(H,24,27)