phenyl 3-oxidanylidene-1-(phenoxysulfonylcarbonylamino)-1-phenyl-pentane-2-sulfonate

Systemtic Name: phenyl 3-oxidanylidene-1-(phenoxysulfonylcarbonylamino)-1-phenyl-pentane-2-sulfonate Openeye Name: phenyl 3-oxo-1-(phenoxysulfonylcarbonylamino)-1-phenyl-pentane-2-sulfonate CAS Name: 3-oxo-1-[[oxo(phenoxysulfonyl)methyl]amino]-1-phenyl-2-pentanesulfonic acid IUPAC Name: phenyl 3-oxo-1-(phenoxysulfonylcarbonylamino)-1-phenylpentane-2-sulfonate Traditional Name: 3-keto-1-(phenoxysulfonylcarbonylamino)-1-phenyl-pentane-2-sulfonic acid phenyl ester Formula: C24H23NO8S2 MolecularWeight: 517.57132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO8S2/c1-2-21(26)23(34(28,29)32-19-14-8-4-9-15-19)22(18-12-6-3-7-13-18)25-24(27)35(30,31)33-20-16-10-5-11-17-20/h3-17,22-23H,2H2,1H3,(H,25,27)