N-[1-(butan-2-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(butan-2-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-methylsulfanyl-1-(sec-butylcarbamoyl)propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(butan-2-ylamino)-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(butan-2-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(methylthio)-1-(sec-butylcarbamoyl)propyl]-1-tosyl-isonipecotamide Formula: C22H35N3O4S2 MolecularWeight: 469.661

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(CCSC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)NC(=O)C(CCSC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H35N3O4S2/c1-5-17(3)23-22(27)20(12-15-30-4)24-21(26)18-10-13-25(14-11-18)31(28,29)19-8-6-16(2)7-9-19/h6-9,17-18,20H,5,10-15H2,1-4H3,(H,23,27)(H,24,26)