2-azanyl-5-[(4-sulfophenyl)carbamoylamino]benzoic acid

Systemtic Name: 2-azanyl-5-[(4-sulfophenyl)carbamoylamino]benzoic acid Openeye Name: 2-amino-5-[(4-sulfophenyl)carbamoylamino]benzoic acid CAS Name: 2-amino-5-[[oxo-(4-sulfoanilino)methyl]amino]benzoic acid IUPAC Name: 2-amino-5-[(4-sulfophenyl)carbamoylamino]benzoic acid Traditional Name: 2-amino-5-[(4-sulfophenyl)carbamoylamino]benzoic acid Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)N)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)N)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H13N3O6S/c15-12-6-3-9(7-11(12)13(18)19)17-14(20)16-8-1-4-10(5-2-8)24(21,22)23/h1-7H,15H2,(H,18,19)(H2,16,17,20)(H,21,22,23)