(2-methoxy-5-nitro-phenyl)methyl 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O7S/c1-30-21-11-10-19(24(26)27)12-18(21)15-31-22(25)17-8-5-9-20(13-17)32(28,29)23-14-16-6-3-2-4-7-16/h2-13,23H,14-15H2,1H3