[2-methyl-2-(phenylcarbamoylamino)propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-2-(phenylcarbamoylamino)propyl] 4-methylbenzenesulfonate Openeye Name: [2-methyl-2-(phenylcarbamoylamino)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[anilino(oxo)methyl]amino]-2-methylpropyl] ester IUPAC Name: [2-methyl-2-(phenylcarbamoylamino)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methyl-2-(phenylcarbamoylamino)propyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-14-9-11-16(12-10-14)25(22,23)24-13-18(2,3)20-17(21)19-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H2,19,20,21)