2-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]thio]cinchoninamide Formula: C23H21N5O4S2 MolecularWeight: 495.57394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H21N5O4S2/c24-14-16-5-1-4-8-20(16)34(31,32)28-11-9-27(10-12-28)22(29)15-33-21-13-18(23(25)30)17-6-2-3-7-19(17)26-21/h1-8,13H,9-12,15H2,(H2,25,30)