(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-oxo-2-[4-(phenylcarbamoyl)-1-piperidyl]ethyl]sulfanylbenzoate CAS Name: 2-[[2-[4-[anilino(oxo)methyl]-1-piperidinyl]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[4-(phenylcarbamoyl)piperidino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C27H32N2O5S/c1-27(2,3)23(30)17-34-26(33)21-11-7-8-12-22(21)35-18-24(31)29-15-13-19(14-16-29)25(32)28-20-9-5-4-6-10-20/h4-12,19H,13-18H2,1-3H3,(H,28,32)