methyl 2-[(3-methyl-2-nitro-phenyl)sulfonyl-(2-phenoxyethyl)amino]ethanoate

Systemtic Name: methyl 2-[(3-methyl-2-nitro-phenyl)sulfonyl-(2-phenoxyethyl)amino]ethanoate Openeye Name: methyl 2-[(3-methyl-2-nitro-phenyl)sulfonyl-(2-phenoxyethyl)amino]acetate CAS Name: 2-[(3-methyl-2-nitrophenyl)sulfonyl-(2-phenoxyethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-2-nitrophenyl)sulfonyl-(2-phenoxyethyl)amino]acetate Traditional Name: 2-[(3-methyl-2-nitro-phenyl)sulfonyl-(2-phenoxyethyl)amino]acetic acid methyl ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)S(=O)(=O)N(CCOC2=CC=CC=C2)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)S(=O)(=O)N(CCOC2=CC=CC=C2)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S/c1-14-7-6-10-16(18(14)20(22)23)28(24,25)19(13-17(21)26-2)11-12-27-15-8-4-3-5-9-15/h3-10H,11-13H2,1-2H3