[4-(2-oxidanylideneethylcarbamoyloxyamino)-3,3-diphenyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-oxidanylideneethylcarbamoyloxyamino)-3,3-diphenyl-butyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-oxoethylcarbamoyloxyamino)-3,3-diphenyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[oxo-(2-oxoethylamino)methoxy]amino]-3,3-diphenylbutyl] ester IUPAC Name: [4-(2-oxoethylcarbamoyloxyamino)-3,3-diphenylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-ketoethylcarbamoyloxyamino)-3,3-diphenyl-butyl] ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CNOC(=O)NCC=O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CNOC(=O)NCC=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O6S/c1-21-12-14-24(15-13-21)35(31,32)33-19-16-26(22-8-4-2-5-9-22,23-10-6-3-7-11-23)20-28-34-25(30)27-17-18-29/h2-15,18,28H,16-17,19-20H2,1H3,(H,27,30)