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

Systemtic Name: [3-[[2-methylpropyl-(3-nitrophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl-(3-nitrobenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(3-nitrobenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl-(3-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6S/c1-4-29(26,27)28-19-10-5-7-16(11-19)14-21(13-15(2)3)20(23)17-8-6-9-18(12-17)22(24)25/h5-12,15H,4,13-14H2,1-3H3