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

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(p-tolyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(p-tolyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H23N3O3S2/c1-14-5-7-16(8-6-14)21-19(23)15(2)26-18-10-9-17(13-20-18)27(24,25)22-11-3-4-12-22/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,21,23)/t15-/m0/s1