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

Systemtic Name: phenyl 3-oxidanylidene-1-phenyl-1-(phenylsulfonylcarbonylamino)hexane-2-sulfonate Openeye Name: phenyl 1-(benzenesulfonylcarbonylamino)-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 1-[[benzenesulfonyl(oxo)methyl]amino]-3-oxo-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 1-(benzenesulfonylcarbonylamino)-3-oxo-1-phenylhexane-2-sulfonate Traditional Name: 1-(besylcarbonylamino)-3-keto-1-phenyl-hexane-2-sulfonic acid phenyl ester Formula: C25H25NO7S2 MolecularWeight: 515.5985

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H25NO7S2/c1-2-12-22(27)24(35(31,32)33-20-15-8-4-9-16-20)23(19-13-6-3-7-14-19)26-25(28)34(29,30)21-17-10-5-11-18-21/h3-11,13-18,23-24H,2,12H2,1H3,(H,26,28)