3-[[4-[(E)-C-methylsulfanyl-N-methylsulfonyl-carbonimidoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-[(E)-C-methylsulfanyl-N-methylsulfonyl-carbonimidoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-[(E)-C-methylsulfanyl-N-methylsulfonyl-carbonimidoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[(E)-methylsulfonylimino-(methylthio)methyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[(E)-C-methylsulfanyl-N-methylsulfonylcarbonimidoyl]piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-[(E)-N-mesyl-C-(methylthio)carbonimidoyl]piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CS/C(=N/S(=O)(=O)C)/N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H26N4O4S2/c1-33-24(26-34(2,31)32)28-14-12-27(13-15-28)16-19-21(23(29)30)18-10-6-7-11-20(18)25-22(19)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3,(H,29,30)/b26-24+