(2S)-N-(4-ethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-3-16-6-8-17(9-7-16)22-20(24)15(2)27-19-11-10-18(14-21-19)28(25,26)23-12-4-5-13-23/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,24)/t15-/m0/s1