cyclohexyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate

Systemtic Name: cyclohexyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate Openeye Name: cyclohexyl 3-(p-tolylsulfonylcarbamoylamino)benzenesulfonate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzenesulfonic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate Traditional Name: 3-(tosylcarbamoylamino)benzenesulfonic acid cyclohexyl ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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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)OC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)OC3CCCCC3

InChI

InChI=1S/C20H24N2O6S2/c1-15-10-12-18(13-11-15)29(24,25)22-20(23)21-16-6-5-9-19(14-16)30(26,27)28-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H2,21,22,23)