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

Systemtic Name: phenyl 3-oxidanylidene-1-(phenoxysulfonylcarbonylamino)-1-phenyl-hexane-2-sulfonate Openeye Name: phenyl 3-oxo-1-(phenoxysulfonylcarbonylamino)-1-phenyl-hexane-2-sulfonate CAS Name: 3-oxo-1-[[oxo(phenoxysulfonyl)methyl]amino]-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 3-oxo-1-(phenoxysulfonylcarbonylamino)-1-phenylhexane-2-sulfonate Traditional Name: 3-keto-1-(phenoxysulfonylcarbonylamino)-1-phenyl-hexane-2-sulfonic acid phenyl ester Formula: C25H25NO8S2 MolecularWeight: 531.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=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

CCCC(=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/C25H25NO8S2/c1-2-12-22(27)24(35(29,30)33-20-15-8-4-9-16-20)23(19-13-6-3-7-14-19)26-25(28)36(31,32)34-21-17-10-5-11-18-21/h3-11,13-18,23-24H,2,12H2,1H3,(H,26,28)