N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(4-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=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

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