3-(3-chloranylpyridin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(3-chloranylpyridin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-[(3-chloro-2-pyridyl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-[(3-chloro-2-pyridinyl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(3-chloropyridin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(3-chloro-2-pyridyl)thio]-N-(3-pyrrolidinosulfonylphenyl)propionamide Formula: C18H20ClN3O3S2 MolecularWeight: 425.9527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=C(C=CC=N3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=C(C=CC=N3)Cl

InChI

InChI=1S/C18H20ClN3O3S2/c19-16-7-4-9-20-18(16)26-12-8-17(23)21-14-5-3-6-15(13-14)27(24,25)22-10-1-2-11-22/h3-7,9,13H,1-2,8,10-12H2,(H,21,23)