phenyl 2-[methyl-[1-(3-nitrophenyl)ethyl]amino]ethanesulfonate

Systemtic Name: phenyl 2-[methyl-[1-(3-nitrophenyl)ethyl]amino]ethanesulfonate Openeye Name: phenyl 2-[methyl-[1-(3-nitrophenyl)ethyl]amino]ethanesulfonate CAS Name: 2-[methyl-[1-(3-nitrophenyl)ethyl]amino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[methyl-[1-(3-nitrophenyl)ethyl]amino]ethanesulfonate Traditional Name: 2-[methyl-[1-(3-nitrophenyl)ethyl]amino]ethanesulfonic acid phenyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)CCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)CCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O5S/c1-14(15-7-6-8-16(13-15)19(20)21)18(2)11-12-25(22,23)24-17-9-4-3-5-10-17/h3-10,13-14H,11-12H2,1-2H3