phenyl 3-oxidanylidene-1,4-diphenyl-1-(phenylsulfonylcarbonylamino)butane-2-sulfonate

Systemtic Name: phenyl 3-oxidanylidene-1,4-diphenyl-1-(phenylsulfonylcarbonylamino)butane-2-sulfonate Openeye Name: phenyl 1-(benzenesulfonylcarbonylamino)-3-oxo-1,4-diphenyl-butane-2-sulfonate CAS Name: 1-[[benzenesulfonyl(oxo)methyl]amino]-3-oxo-1,4-diphenyl-2-butanesulfonic acid IUPAC Name: phenyl 1-(benzenesulfonylcarbonylamino)-3-oxo-1,4-diphenylbutane-2-sulfonate Traditional Name: 1-(besylcarbonylamino)-3-keto-1,4-diphenyl-butane-2-sulfonic acid phenyl ester Formula: C29H25NO7S2 MolecularWeight: 563.6413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C(C(C2=CC=CC=C2)NC(=O)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C(C(C2=CC=CC=C2)NC(=O)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C29H25NO7S2/c31-26(21-22-13-5-1-6-14-22)28(39(35,36)37-24-17-9-3-10-18-24)27(23-15-7-2-8-16-23)30-29(32)38(33,34)25-19-11-4-12-20-25/h1-20,27-28H,21H2,(H,30,32)