N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H29N3O3S2 MolecularWeight: 411.58186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H29N3O3S2/c1-14-6-5-7-17(15(14)2)21-18(23)13-26-19-9-8-16(12-20-19)27(24,25)22-10-3-4-11-22/h8-9,12,14-15,17H,3-7,10-11,13H2,1-2H3,(H,21,23)/t14-,15+,17+/m0/s1