[4-(phenylcarbamoyl)phenyl]methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

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