2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]butanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[(1-tosylisonipecotoyl)amino]butyric acid Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S2/c1-13-3-5-15(6-4-13)27(24,25)20-10-7-14(8-11-20)17(21)19-16(18(22)23)9-12-26-2/h3-6,14,16H,7-12H2,1-2H3,(H,19,21)(H,22,23)