4-[(2-carboxyphenyl)carbonylamino]benzenesulfonate; pyridin-1-ium

Systemtic Name: 4-[(2-carboxyphenyl)carbonylamino]benzenesulfonate; pyridin-1-ium Openeye Name: 4-[(2-carboxybenzoyl)amino]benzenesulfonate; pyridin-1-ium CAS Name: 4-[[(2-carboxyphenyl)-oxomethyl]amino]benzenesulfonate; pyridin-1-ium IUPAC Name: 4-[(2-carboxybenzoyl)amino]benzenesulfonate; pyridin-1-ium Traditional Name: 4-[(2-carboxybenzoyl)amino]besylate; pyridin-1-ium Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C=C1.C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)O

InChI

InChI=1S/C14H11NO6S.C5H5N/c16-13(11-3-1-2-4-12(11)14(17)18)15-9-5-7-10(8-6-9)22(19,20)21;1-2-4-6-5-3-1/h1-8H,(H,15,16)(H,17,18)(H,19,20,21);1-5H