(3S)-1-(1-methylpyrazol-4-yl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1-methylpyrazol-4-yl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(1-methylpyrazol-4-yl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(1-methyl-4-pyrazolyl)sulfonyl]-N-[2-(phenylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-methylpyrazol-4-yl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-methylpyrazol-4-yl)sulfonyl-N-[2-(phenylthio)phenyl]nipecotamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S2/c1-25-16-19(14-23-25)31(28,29)26-13-7-8-17(15-26)22(27)24-20-11-5-6-12-21(20)30-18-9-3-2-4-10-18/h2-6,9-12,14,16-17H,7-8,13,15H2,1H3,(H,24,27)/t17-/m0/s1