sodium 4-[(3-azanyl-4-methyl-phenyl)carbonylamino]benzenesulfonate

Systemtic Name: sodium 4-[(3-azanyl-4-methyl-phenyl)carbonylamino]benzenesulfonate Openeye Name: sodium 4-[(3-amino-4-methyl-benzoyl)amino]benzenesulfonate CAS Name: sodium 4-[[(3-amino-4-methylphenyl)-oxomethyl]amino]benzenesulfonate IUPAC Name: sodium 4-[(3-amino-4-methylbenzoyl)amino]benzenesulfonate Traditional Name: sodium 4-[(3-amino-4-methyl-benzoyl)amino]besylate Formula: C14H13N2NaO4S MolecularWeight: 328.31879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C14H14N2O4S.Na/c1-9-2-3-10(8-13(9)15)14(17)16-11-4-6-12(7-5-11)21(18,19)20;/h2-8H,15H2,1H3,(H,16,17)(H,18,19,20);/q;+1/p-1