[5-(2-oxidanylideneethylcarbamoyloxyamino)-4,4-diphenyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [5-(2-oxidanylideneethylcarbamoyloxyamino)-4,4-diphenyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [5-(2-oxoethylcarbamoyloxyamino)-4,4-diphenyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[[oxo-(2-oxoethylamino)methoxy]amino]-4,4-diphenylpentyl] ester IUPAC Name: [5-(2-oxoethylcarbamoyloxyamino)-4,4-diphenylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(2-ketoethylcarbamoyloxyamino)-4,4-diphenyl-pentyl] ester Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O6S/c1-22-13-15-25(16-14-22)36(32,33)34-20-8-17-27(23-9-4-2-5-10-23,24-11-6-3-7-12-24)21-29-35-26(31)28-18-19-30/h2-7,9-16,19,29H,8,17-18,20-21H2,1H3,(H,28,31)