1-(4-methylphenyl)sulfonyl-N-[(2S)-1-[(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-1-[(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1S)-1-[[5-methyl-2-(2-pyridyl)pyrazol-3-yl]carbamoyl]-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-1-[[5-methyl-2-(2-pyridinyl)-3-pyrazolyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-1-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-[[5-methyl-2-(2-pyridyl)pyrazol-3-yl]carbamoyl]-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C27H34N6O4S2 MolecularWeight: 570.72666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NC3=CC(=NN3C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CCSC)C(=O)NC3=CC(=NN3C4=CC=CC=N4)C

InChI

InChI=1S/C27H34N6O4S2/c1-19-7-9-22(10-8-19)39(36,37)32-15-11-21(12-16-32)26(34)29-23(13-17-38-3)27(35)30-25-18-20(2)31-33(25)24-6-4-5-14-28-24/h4-10,14,18,21,23H,11-13,15-17H2,1-3H3,(H,29,34)(H,30,35)/t23-/m0/s1