[3-[[2-methylpropyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methylpropyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl-(4-nitrobenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(4-nitrobenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl-(4-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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