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

Systemtic Name: [3-[[(4-methyl-3-nitro-phenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-methyl-3-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methyl-3-nitrobenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl-(4-methyl-3-nitro-benzoyl)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(C(C)C)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S/c1-5-29(26,27)28-18-8-6-7-16(11-18)13-21(14(2)3)20(23)17-10-9-15(4)19(12-17)22(24)25/h6-12,14H,5,13H2,1-4H3