(2S)-N-(3-chlorophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-chlorophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(3-chlorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: (2S)-N-(3-chlorophenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(3-chlorophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(3-chlorophenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C18H20ClN3O3S2 MolecularWeight: 425.9527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Cl)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20ClN3O3S2/c1-13(18(23)21-15-6-4-5-14(19)11-15)26-17-8-7-16(12-20-17)27(24,25)22-9-2-3-10-22/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23)/t13-/m0/s1