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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-3-4-12-20(19(22)16-6-5-7-17(13-16)21(23)24)14-15-8-10-18(11-9-15)27-28(2,25)26/h5-11,13H,3-4,12,14H2,1-2H3