3,5-bis[(4-methylphenyl)sulfonylcarbamoylamino]benzoic acid

Systemtic Name: 3,5-bis[(4-methylphenyl)sulfonylcarbamoylamino]benzoic acid Openeye Name: 3,5-bis(p-tolylsulfonylcarbamoylamino)benzoic acid CAS Name: 3,5-bis[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-bis[(4-methylphenyl)sulfonylcarbamoylamino]benzoic acid Traditional Name: 3,5-bis(tosylcarbamoylamino)benzoic acid Formula: C23H22N4O8S2 MolecularWeight: 546.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H22N4O8S2/c1-14-3-7-19(8-4-14)36(32,33)26-22(30)24-17-11-16(21(28)29)12-18(13-17)25-23(31)27-37(34,35)20-9-5-15(2)6-10-20/h3-13H,1-2H3,(H,28,29)(H2,24,26,30)(H2,25,27,31)