methyl 3-methyl-3-[1-(4-methylphenyl)sulfonyl-4-oxidanylidene-piperidin-3-yl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: methyl 3-methyl-3-[1-(4-methylphenyl)sulfonyl-4-oxidanylidene-piperidin-3-yl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-methyl-3-[[4-oxo-1-(p-tolylsulfonyl)-3-piperidyl]sulfanyl]butanoate CAS Name: 3-methyl-3-[[1-(4-methylphenyl)sulfonyl-4-oxo-3-piperidinyl]thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-3-[1-(4-methylphenyl)sulfonyl-4-oxopiperidin-3-yl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(4-keto-1-tosyl-3-piperidyl)thio]-3-methyl-butyric acid methyl ester Formula: C23H34N2O7S2 MolecularWeight: 514.65526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C(C2)SC(C)(C)C(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C(C2)SC(C)(C)C(C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H34N2O7S2/c1-15-8-10-16(11-9-15)34(29,30)25-13-12-17(26)18(14-25)33-23(5,6)19(20(27)31-7)24-21(28)32-22(2,3)4/h8-11,18-19H,12-14H2,1-7H3,(H,24,28)