(3S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-N-[2-(phenylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-N-[2-(phenylthio)phenyl]nipecotamide Formula: C24H28N4O3S2 MolecularWeight: 484.63412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S2/c1-3-27-17-23(18(2)26-27)33(30,31)28-15-9-10-19(16-28)24(29)25-21-13-7-8-14-22(21)32-20-11-5-4-6-12-20/h4-8,11-14,17,19H,3,9-10,15-16H2,1-2H3,(H,25,29)/t19-/m0/s1