[3-[[butan-2-yl-(3-nitrophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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