2-[[3-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[3-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-(p-tolylsulfonylamino)phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[3-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[3-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[3-(tosylamino)phenyl]sulfonylamino]benzoic acid Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H18N2O6S2/c1-14-9-11-16(12-10-14)29(25,26)21-15-5-4-6-17(13-15)30(27,28)22-19-8-3-2-7-18(19)20(23)24/h2-13,21-22H,1H3,(H,23,24)