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

Systemtic Name: 2-azanyl-4-[(4-azanyl-2-methylsulfonyl-phenyl)amino]benzenesulfonic acid Openeye Name: 2-amino-4-(4-amino-2-methylsulfonyl-anilino)benzenesulfonic acid CAS Name: 2-amino-4-(4-amino-2-methylsulfonylanilino)benzenesulfonic acid IUPAC Name: 2-amino-4-(4-amino-2-methylsulfonylanilino)benzenesulfonic acid Traditional Name: 2-amino-4-(4-amino-2-mesyl-anilino)besylic acid Formula: C13H15N3O5S2 MolecularWeight: 357.4053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5S2/c1-22(17,18)13-6-8(14)2-4-11(13)16-9-3-5-12(10(15)7-9)23(19,20)21/h2-7,16H,14-15H2,1H3,(H,19,20,21)