N-[1-(3-butoxypropylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3-butoxypropylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(3-butoxypropylcarbamoyl)-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(3-butoxypropylamino)-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3-butoxypropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3-butoxypropylcarbamoyl)-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C25H41N3O5S2 MolecularWeight: 527.74014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N3O5S2/c1-4-5-17-33-18-6-14-26-25(30)23(13-19-34-3)27-24(29)21-11-15-28(16-12-21)35(31,32)22-9-7-20(2)8-10-22/h7-10,21,23H,4-6,11-19H2,1-3H3,(H,26,30)(H,27,29)