3-azanyl-2-(methylsulfonylamino)-2-(4-methylsulfonylphenyl)carbonyl-pentanedioic acid

Systemtic Name: 3-azanyl-2-(methylsulfonylamino)-2-(4-methylsulfonylphenyl)carbonyl-pentanedioic acid Openeye Name: 3-amino-2-(methanesulfonamido)-2-(4-methylsulfonylbenzoyl)pentanedioic acid CAS Name: 3-amino-2-(methanesulfonamido)-2-[(4-methylsulfonylphenyl)-oxomethyl]pentanedioic acid IUPAC Name: 3-amino-2-(methanesulfonamido)-2-(4-methylsulfonylbenzoyl)pentanedioic acid Traditional Name: 3-amino-2-(4-mesylbenzoyl)-2-(methanesulfonamido)glutaric acid Formula: C14H18N2O9S2 MolecularWeight: 422.43072

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C(C(CC(=O)O)N)(C(=O)O)NS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C(C(CC(=O)O)N)(C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C14H18N2O9S2/c1-26(22,23)9-5-3-8(4-6-9)12(19)14(13(20)21,16-27(2,24)25)10(15)7-11(17)18/h3-6,10,16H,7,15H2,1-2H3,(H,17,18)(H,20,21)