3-[[4-[(2-methylsulfonylphenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(2-methylsulfonylphenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(2-methylsulfonylbenzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[(2-methylsulfonylphenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(2-methylsulfonylbenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(2-mesylbenzoyl)amino]phenyl]sulfonylamino]propionic acid Formula: C17H18N2O7S2 MolecularWeight: 426.46402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C17H18N2O7S2/c1-27(23,24)15-5-3-2-4-14(15)17(22)19-12-6-8-13(9-7-12)28(25,26)18-11-10-16(20)21/h2-9,18H,10-11H2,1H3,(H,19,22)(H,20,21)