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

Systemtic Name: N-[1-(3-methoxypropylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(3-methoxypropylcarbamoyl)-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(3-methoxypropylamino)-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3-methoxypropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3-methoxypropylcarbamoyl)-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C22H35N3O5S2 MolecularWeight: 485.6604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCCCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCCCOC

InChI

InChI=1S/C22H35N3O5S2/c1-17-5-7-19(8-6-17)32(28,29)25-13-9-18(10-14-25)21(26)24-20(11-16-31-3)22(27)23-12-4-15-30-2/h5-8,18,20H,4,9-16H2,1-3H3,(H,23,27)(H,24,26)