3-[[3-azanyl-4-(4-methylphenyl)sulfonyl-phenyl]sulfonylamino]benzenesulfonic acid

Systemtic Name: 3-[[3-azanyl-4-(4-methylphenyl)sulfonyl-phenyl]sulfonylamino]benzenesulfonic acid Openeye Name: 3-[[3-amino-4-(p-tolylsulfonyl)phenyl]sulfonylamino]benzenesulfonic acid CAS Name: 3-[[3-amino-4-(4-methylphenyl)sulfonylphenyl]sulfonylamino]benzenesulfonic acid IUPAC Name: 3-[[3-amino-4-(4-methylphenyl)sulfonylphenyl]sulfonylamino]benzenesulfonic acid Traditional Name: 3-[(3-amino-4-tosyl-phenyl)sulfonylamino]besylic acid Formula: C19H18N2O7S3 MolecularWeight: 482.55042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)O)N

InChI

InChI=1S/C19H18N2O7S3/c1-13-5-7-15(8-6-13)29(22,23)19-10-9-16(12-18(19)20)30(24,25)21-14-3-2-4-17(11-14)31(26,27)28/h2-12,21H,20H2,1H3,(H,26,27,28)