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

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2-quinolylsulfanyl)butanamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(2-quinolinylthio)butanamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-2-(2-quinolylthio)butyramide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25N3O3S2/c1-2-21(30-22-14-9-17-7-3-4-8-20(17)25-22)23(27)24-18-10-12-19(13-11-18)31(28,29)26-15-5-6-16-26/h3-4,7-14,21H,2,5-6,15-16H2,1H3,(H,24,27)