2-azanyl-4-[(3-chlorophenyl)carbonylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[(3-chlorophenyl)carbonylamino]benzenesulfonic acid Openeye Name: 2-amino-4-[(3-chlorobenzoyl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[[(3-chlorophenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(3-chlorobenzoyl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(3-chlorobenzoyl)amino]besylic acid Formula: C13H11ClN2O4S MolecularWeight: 326.75544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4S/c14-9-3-1-2-8(6-9)13(17)16-10-4-5-12(11(15)7-10)21(18,19)20/h1-7H,15H2,(H,16,17)(H,18,19,20)