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

Systemtic Name: sodium 4-[(4-methyl-3-nitro-phenyl)carbonylamino]benzenesulfonate Openeye Name: sodium 4-[(4-methyl-3-nitro-benzoyl)amino]benzenesulfonate CAS Name: sodium 4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]benzenesulfonate IUPAC Name: sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate Traditional Name: sodium 4-[(4-methyl-3-nitro-benzoyl)amino]besylate Formula: C14H11N2NaO6S MolecularWeight: 358.30171

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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+](=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S.Na/c1-9-2-3-10(8-13(9)16(18)19)14(17)15-11-4-6-12(7-5-11)23(20,21)22;/h2-8H,1H3,(H,15,17)(H,20,21,22);/q;+1/p-1