N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-2-(2-quinolylthio)acetamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N3O3S2/c25-20(15-28-21-11-10-16-6-1-2-9-19(16)23-21)22-17-7-5-8-18(14-17)29(26,27)24-12-3-4-13-24/h1-2,5-11,14H,3-4,12-13,15H2,(H,22,25)