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

Systemtic Name: [3-[[(4-nitrophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl-(4-nitrobenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-nitrobenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl-(4-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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