N-[4-(4-cyanopyridin-2-yl)-3-(2-quinolin-2-ylethylsulfanyl)-1H-pyrazol-5-yl]-4-methyl-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-(4-cyanopyridin-2-yl)-3-(2-quinolin-2-ylethylsulfanyl)-1H-pyrazol-5-yl]-4-methyl-2-nitro-benzenesulfonamide Openeye Name: N-[4-(4-cyano-2-pyridyl)-3-[2-(2-quinolyl)ethylsulfanyl]-1H-pyrazol-5-yl]-4-methyl-2-nitro-benzenesulfonamide CAS Name: N-[4-(4-cyano-2-pyridinyl)-3-[2-(2-quinolinyl)ethylthio]-1H-pyrazol-5-yl]-4-methyl-2-nitrobenzenesulfonamide IUPAC Name: N-[4-(4-cyanopyridin-2-yl)-3-(2-quinolin-2-ylethylsulfanyl)-1H-pyrazol-5-yl]-4-methyl-2-nitrobenzenesulfonamide Traditional Name: N-[4-(4-cyano-2-pyridyl)-3-[2-(2-quinolyl)ethylthio]-1H-pyrazol-5-yl]-4-methyl-2-nitro-benzenesulfonamide Formula: C27H21N7O4S2 MolecularWeight: 571.63014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C(=NN2)SCCC3=NC4=CC=CC=C4C=C3)C5=NC=CC(=C5)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C(=NN2)SCCC3=NC4=CC=CC=C4C=C3)C5=NC=CC(=C5)C#N)[N+](=O)[O-]

InChI

InChI=1S/C27H21N7O4S2/c1-17-6-9-24(23(14-17)34(35)36)40(37,38)33-26-25(22-15-18(16-28)10-12-29-22)27(32-31-26)39-13-11-20-8-7-19-4-2-3-5-21(19)30-20/h2-10,12,14-15H,11,13H2,1H3,(H2,31,32,33)