6-chloranyl-2-[(4-methylsulfonylphenyl)amino]-3-nitro-benzoic acid

Systemtic Name: 6-chloranyl-2-[(4-methylsulfonylphenyl)amino]-3-nitro-benzoic acid Openeye Name: 6-chloro-2-(4-methylsulfonylanilino)-3-nitro-benzoic acid CAS Name: 6-chloro-2-(4-methylsulfonylanilino)-3-nitrobenzoic acid IUPAC Name: 6-chloro-2-(4-methylsulfonylanilino)-3-nitrobenzoic acid Traditional Name: 6-chloro-2-(4-mesylanilino)-3-nitro-benzoic acid Formula: C14H11ClN2O6S MolecularWeight: 370.76494

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN2O6S/c1-24(22,23)9-4-2-8(3-5-9)16-13-11(17(20)21)7-6-10(15)12(13)14(18)19/h2-7,16H,1H3,(H,18,19)