N-(3-methylsulfanylphenyl)-1-quinolin-8-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-quinolin-8-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-(8-quinolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-(8-quinolinylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-(8-quinolylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H21N3O3S2/c1-28-17-9-3-8-16(14-17)23-21(25)18-10-5-13-24(18)29(26,27)19-11-2-6-15-7-4-12-22-20(15)19/h2-4,6-9,11-12,14,18H,5,10,13H2,1H3,(H,23,25)