phenacyl 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: phenacyl 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate Openeye Name: phenacyl 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoic acid phenacyl ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O7S/c1-15-11-12-17(24(27)28)13-21(15)32(29,30)23-19-10-6-5-9-18(19)22(26)31-14-20(25)16-7-3-2-4-8-16/h2-13,23H,14H2,1H3