3-acetamido-5-[(4-azanyl-2-sulfo-phenyl)amino]benzoic acid

Systemtic Name: 3-acetamido-5-[(4-azanyl-2-sulfo-phenyl)amino]benzoic acid Openeye Name: 3-acetamido-5-(4-amino-2-sulfo-anilino)benzoic acid CAS Name: 3-acetamido-5-(4-amino-2-sulfoanilino)benzoic acid IUPAC Name: 3-acetamido-5-(4-amino-2-sulfoanilino)benzoic acid Traditional Name: 3-acetamido-5-(4-amino-2-sulfo-anilino)benzoic acid Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6S/c1-8(19)17-11-4-9(15(20)21)5-12(7-11)18-13-3-2-10(16)6-14(13)25(22,23)24/h2-7,18H,16H2,1H3,(H,17,19)(H,20,21)(H,22,23,24)