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

Systemtic Name: N-(3-butylsulfanylpropyl)-1-methyl-4-oxidanylidene-6-piperidin-1-ylsulfonyl-quinoline-3-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-1-methyl-4-oxo-6-(1-piperidylsulfonyl)quinoline-3-carboxamide CAS Name: N-[3-(butylthio)propyl]-1-methyl-4-oxo-6-(1-piperidinylsulfonyl)-3-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-1-methyl-4-oxo-6-piperidin-1-ylsulfonylquinoline-3-carboxamide Traditional Name: N-[3-(butylthio)propyl]-4-keto-1-methyl-6-piperidinosulfonyl-quinoline-3-carboxamide Formula: C23H33N3O4S2 MolecularWeight: 479.65582

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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)N3CCCCC3)C

Isomeric SMILES

CCCCSCCCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C23H33N3O4S2/c1-3-4-14-31-15-8-11-24-23(28)20-17-25(2)21-10-9-18(16-19(21)22(20)27)32(29,30)26-12-6-5-7-13-26/h9-10,16-17H,3-8,11-15H2,1-2H3,(H,24,28)