2-methylpropyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate

Systemtic Name: 2-methylpropyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate Openeye Name: isobutyl 3-(p-tolylsulfonylcarbamoylamino)benzenesulfonate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzenesulfonic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate Traditional Name: 3-(tosylcarbamoylamino)benzenesulfonic acid isobutyl ester Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S2/c1-13(2)12-26-28(24,25)17-6-4-5-15(11-17)19-18(21)20-27(22,23)16-9-7-14(3)8-10-16/h4-11,13H,12H2,1-3H3,(H2,19,20,21)