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

Systemtic Name: [3-[[2-methoxyethyl-(3-nitrophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl-(3-nitrobenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(3-nitrobenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl-(3-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O7S/c1-3-29(25,26)28-18-9-4-6-15(12-18)14-20(10-11-27-2)19(22)16-7-5-8-17(13-16)21(23)24/h4-9,12-13H,3,10-11,14H2,1-2H3