2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 2-phthalimidoethyl ester Formula: C25H21N3O7S MolecularWeight: 507.51514

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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)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H21N3O7S/c1-16-9-11-19(12-10-16)36(33,34)27-25(32)26-18-6-4-5-17(15-18)24(31)35-14-13-28-22(29)20-7-2-3-8-21(20)23(28)30/h2-12,15H,13-14H2,1H3,(H2,26,27,32)