methyl 4-[[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]methyl]benzoate Openeye Name: methyl 4-[[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]methyl]benzoic acid methyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-11-8-15(19(21)22)9-16(12(11)2)26(23,24)18-10-13-4-6-14(7-5-13)17(20)25-3/h4-9,18H,10H2,1-3H3