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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(2-quinolylthio)acetamide Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H25N3O4S2/c1-2-30-20-11-10-18(15-21(20)32(28,29)26-13-5-6-14-26)24-22(27)16-31-23-12-9-17-7-3-4-8-19(17)25-23/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,24,27)