phenyl oxidanylidene-[[3-oxidanylidene-1-phenyl-2-(phenylmethyl)-3-(phenylsulfonyl)propyl]amino]methanesulfonate

Systemtic Name: phenyl oxidanylidene-[[3-oxidanylidene-1-phenyl-2-(phenylmethyl)-3-(phenylsulfonyl)propyl]amino]methanesulfonate Openeye Name: phenyl [[3-(benzenesulfonyl)-2-benzyl-3-oxo-1-phenyl-propyl]amino]-oxo-methanesulfonate CAS Name: [[3-(benzenesulfonyl)-3-oxo-1-phenyl-2-(phenylmethyl)propyl]amino]-oxomethanesulfonic acid phenyl ester IUPAC Name: phenyl [[3-(benzenesulfonyl)-2-benzyl-3-oxo-1-phenylpropyl]amino]-oxomethanesulfonate Traditional Name: [(2-benzyl-3-besyl-3-keto-1-phenyl-propyl)amino]-keto-methanesulfonic acid phenyl ester Formula: C29H25NO7S2 MolecularWeight: 563.6413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C2=CC=CC=C2)NC(=O)S(=O)(=O)OC3=CC=CC=C3)C(=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(C2=CC=CC=C2)NC(=O)S(=O)(=O)OC3=CC=CC=C3)C(=O)S(=O)(=O)C4=CC=CC=C4

InChI

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