[2-methyl-2-[(4-nitrophenyl)carbonylamino]propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-2-[(4-nitrophenyl)carbonylamino]propyl] 4-methylbenzenesulfonate Openeye Name: [2-methyl-2-[(4-nitrobenzoyl)amino]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]propyl] ester IUPAC Name: [2-methyl-2-[(4-nitrobenzoyl)amino]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methyl-2-[(4-nitrobenzoyl)amino]propyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-13-4-10-16(11-5-13)27(24,25)26-12-18(2,3)19-17(21)14-6-8-15(9-7-14)20(22)23/h4-11H,12H2,1-3H3,(H,19,21)