N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H31N3O3S2/c1-17(2)14-19-6-8-20(9-7-19)18(3)25-22(27)16-30-23-11-10-21(15-24-23)31(28,29)26-12-4-5-13-26/h6-11,15,17-18H,4-5,12-14,16H2,1-3H3,(H,25,27)/t18-/m0/s1