N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(2-pyridylthio)acetamide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=N2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=N2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H23N3O4S2/c1-2-26-16-9-8-15(13-17(16)28(24,25)22-11-5-6-12-22)21-18(23)14-27-19-7-3-4-10-20-19/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,21,23)