phenyl 3-benzamido-1-oxidanylidene-3-phenyl-2-(phenylsulfonyl)propane-1-sulfonate

Systemtic Name: phenyl 3-benzamido-1-oxidanylidene-3-phenyl-2-(phenylsulfonyl)propane-1-sulfonate Openeye Name: phenyl 3-benzamido-2-(benzenesulfonyl)-1-oxo-3-phenyl-propane-1-sulfonate CAS Name: 3-benzamido-2-(benzenesulfonyl)-1-oxo-3-phenyl-1-propanesulfonic acid IUPAC Name: phenyl 3-benzamido-2-(benzenesulfonyl)-1-oxo-3-phenylpropane-1-sulfonate Traditional Name: 3-benzamido-2-besyl-1-keto-3-phenyl-propane-1-sulfonic acid phenyl ester Formula: C28H23NO7S2 MolecularWeight: 549.61472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H23NO7S2/c30-27(22-15-7-2-8-16-22)29-25(21-13-5-1-6-14-21)26(37(32,33)24-19-11-4-12-20-24)28(31)38(34,35)36-23-17-9-3-10-18-23/h1-20,25-26H,(H,29,30)