4-[(1R,2S)-2-[(4-methylphenyl)sulfonylamino]-1,3-bis(oxidanyl)-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[(1R,2S)-2-[(4-methylphenyl)sulfonylamino]-1,3-bis(oxidanyl)-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[(1R,2S)-1,3-dihydroxy-3-oxo-2-(p-tolylsulfonylamino)propyl]benzoic acid CAS Name: 4-[(1R,2S)-1,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]-3-oxopropyl]benzoic acid IUPAC Name: 4-[(1R,2S)-1,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]-3-oxopropyl]benzoic acid Traditional Name: 4-[(1R,2S)-1,3-dihydroxy-3-keto-2-(tosylamino)propyl]benzoic acid Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C2=CC=C(C=C2)C(=O)O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@@H](C2=CC=C(C=C2)C(=O)O)O)C(=O)O

InChI

InChI=1S/C17H17NO7S/c1-10-2-8-13(9-3-10)26(24,25)18-14(17(22)23)15(19)11-4-6-12(7-5-11)16(20)21/h2-9,14-15,18-19H,1H3,(H,20,21)(H,22,23)/t14-,15+/m0/s1