N-(3-butylsulfanylpropyl)-1-methyl-4-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-quinoline-3-carboxamide

Systemtic Name: N-(3-butylsulfanylpropyl)-1-methyl-4-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-quinoline-3-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonyl-quinoline-3-carboxamide CAS Name: N-[3-(butylthio)propyl]-1-methyl-4-oxo-6-(1-pyrrolidinylsulfonyl)-3-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide Traditional Name: N-[3-(butylthio)propyl]-4-keto-1-methyl-6-pyrrolidinosulfonyl-quinoline-3-carboxamide Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCCCSCCCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C22H31N3O4S2/c1-3-4-13-30-14-7-10-23-22(27)19-16-24(2)20-9-8-17(15-18(20)21(19)26)31(28,29)25-11-5-6-12-25/h8-9,15-16H,3-7,10-14H2,1-2H3,(H,23,27)