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

Systemtic Name: phenyl 2-[methyl-[(3-nitrophenyl)methyl]amino]ethanesulfonate Openeye Name: phenyl 2-[methyl-[(3-nitrophenyl)methyl]amino]ethanesulfonate CAS Name: 2-[methyl-[(3-nitrophenyl)methyl]amino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[methyl-[(3-nitrophenyl)methyl]amino]ethanesulfonate Traditional Name: 2-[methyl-(3-nitrobenzyl)amino]ethanesulfonic acid phenyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-17(13-14-6-5-7-15(12-14)18(19)20)10-11-24(21,22)23-16-8-3-2-4-9-16/h2-9,12H,10-11,13H2,1H3