2-[(4-acetamidophenyl)sulfonylamino]-5-sulfo-benzoic acid

Systemtic Name: 2-[(4-acetamidophenyl)sulfonylamino]-5-sulfo-benzoic acid Openeye Name: 2-[(4-acetamidophenyl)sulfonylamino]-5-sulfo-benzoic acid CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]-5-sulfobenzoic acid IUPAC Name: 2-[(4-acetamidophenyl)sulfonylamino]-5-sulfobenzoic acid Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]-5-sulfo-benzoic acid Formula: C15H14N2O8S2 MolecularWeight: 414.41026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C15H14N2O8S2/c1-9(18)16-10-2-4-11(5-3-10)26(21,22)17-14-7-6-12(27(23,24)25)8-13(14)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20)(H,23,24,25)