N-[(2S)-2-phenylpropyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-phenylpropyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2S)-2-phenylpropyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(2S)-2-phenylpropyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(2S)-2-phenylpropyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(2S)-2-phenylpropyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-16(17-7-3-2-4-8-17)13-21-19(24)15-27-20-10-9-18(14-22-20)28(25,26)23-11-5-6-12-23/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3,(H,21,24)/t16-/m1/s1