N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(2-quinolylsulfanyl)propanamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-(2-quinolinylthio)propanamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-quinolin-2-ylsulfanylpropanamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-3-(2-quinolylthio)propionamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3O3S2/c26-21(13-16-29-22-12-7-17-5-1-2-6-20(17)24-22)23-18-8-10-19(11-9-18)30(27,28)25-14-3-4-15-25/h1-2,5-12H,3-4,13-16H2,(H,23,26)