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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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