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

Systemtic Name: [3-[[(4-chloranyl-3-nitro-phenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-chloro-3-nitro-benzoyl)-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-chloro-3-nitrobenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-chloro-3-nitro-benzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O6S/c1-13(2)11-21(12-14-5-4-6-16(9-14)28-29(3,26)27)19(23)15-7-8-17(20)18(10-15)22(24)25/h4-10,13H,11-12H2,1-3H3