2-azanyl-5-[(2-methylsulfonyl-4-nitro-phenyl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(2-methylsulfonyl-4-nitro-phenyl)amino]benzenesulfonic acid Openeye Name: 2-amino-5-(2-methylsulfonyl-4-nitro-anilino)benzenesulfonic acid CAS Name: 2-amino-5-(2-methylsulfonyl-4-nitroanilino)benzenesulfonic acid IUPAC Name: 2-amino-5-(2-methylsulfonyl-4-nitroanilino)benzenesulfonic acid Traditional Name: 2-amino-5-(2-mesyl-4-nitro-anilino)besylic acid Formula: C13H13N3O7S2 MolecularWeight: 387.38822

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC(=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C13H13N3O7S2/c1-24(19,20)13-7-9(16(17)18)3-5-11(13)15-8-2-4-10(14)12(6-8)25(21,22)23/h2-7,15H,14H2,1H3,(H,21,22,23)