phenyl 2-methyl-1-oxidanylidene-3-(phenoxysulfonylcarbonylamino)-3-phenyl-propane-1-sulfonate

Systemtic Name: phenyl 2-methyl-1-oxidanylidene-3-(phenoxysulfonylcarbonylamino)-3-phenyl-propane-1-sulfonate Openeye Name: phenyl 2-methyl-1-oxo-3-(phenoxysulfonylcarbonylamino)-3-phenyl-propane-1-sulfonate CAS Name: 2-methyl-1-oxo-3-[[oxo(phenoxysulfonyl)methyl]amino]-3-phenyl-1-propanesulfonic acid IUPAC Name: phenyl 2-methyl-1-oxo-3-(phenoxysulfonylcarbonylamino)-3-phenylpropane-1-sulfonate Traditional Name: 1-keto-2-methyl-3-(phenoxysulfonylcarbonylamino)-3-phenyl-propane-1-sulfonic acid phenyl ester Formula: C23H21NO8S2 MolecularWeight: 503.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)OC2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)OC2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H21NO8S2/c1-17(22(25)33(27,28)31-19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)24-23(26)34(29,30)32-20-15-9-4-10-16-20/h2-17,21H,1H3,(H,24,26)