[3-[[2-methylpropyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2-methylpropyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isobutyl-(4-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methylpropyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(4-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isobutyl-(4-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6S/c1-14(2)12-20(19(22)16-7-9-17(10-8-16)21(23)24)13-15-5-4-6-18(11-15)27-28(3,25)26/h4-11,14H,12-13H2,1-3H3