4-[4-(methylsulfonylamino)phenyl]-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoic acid

Systemtic Name: 4-[4-(methylsulfonylamino)phenyl]-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoic acid Openeye Name: 2-(benzylsulfonylmethyl)-4-[4-(methanesulfonamido)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-(methanesulfonamido)phenyl]-4-oxo-2-[(phenylmethyl)sulfonylmethyl]butanoic acid IUPAC Name: 2-(benzylsulfonylmethyl)-4-[4-(methanesulfonamido)phenyl]-4-oxobutanoic acid Traditional Name: 2-(benzylsulfonylmethyl)-4-keto-4-[4-(methanesulfonamido)phenyl]butyric acid Formula: C19H21NO7S2 MolecularWeight: 439.50254

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H21NO7S2/c1-28(24,25)20-17-9-7-15(8-10-17)18(21)11-16(19(22)23)13-29(26,27)12-14-5-3-2-4-6-14/h2-10,16,20H,11-13H2,1H3,(H,22,23)