(3-methoxyphenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (3-methoxyphenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (3-methoxyphenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid (3-methoxyphenyl)methyl ester IUPAC Name: (3-methoxyphenyl)methyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid m-anisyl ester Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=CC=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=CC=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O7S/c1-18-15-7-6-14(9-16(15)20(22)23)28(24,25)19-10-17(21)27-11-12-4-3-5-13(8-12)26-2/h3-9,18-19H,10-11H2,1-2H3