[4-[[butyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-(4-methyl-3-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S/c1-4-5-12-21(14-16-7-10-18(11-8-16)28-29(3,26)27)20(23)17-9-6-15(2)19(13-17)22(24)25/h6-11,13H,4-5,12,14H2,1-3H3