N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(methylthio)nicotinamide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H23N3O4S2/c1-3-26-16-9-8-14(13-17(16)28(24,25)22-11-4-5-12-22)21-18(23)15-7-6-10-20-19(15)27-2/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,23)