[4-(phenylmethyl)sulfonylphenyl]methyl 2-(4-nitrophenyl)ethanoate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 2-(4-nitrophenyl)ethanoate Openeye Name: (4-benzylsulfonylphenyl)methyl 2-(4-nitrophenyl)acetate CAS Name: 2-(4-nitrophenyl)acetic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 2-(4-nitrophenyl)acetate Traditional Name: 2-(4-nitrophenyl)acetic acid (4-benzylsulfonylbenzyl) ester Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)COC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)COC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO6S/c24-22(14-17-6-10-20(11-7-17)23(25)26)29-15-18-8-12-21(13-9-18)30(27,28)16-19-4-2-1-3-5-19/h1-13H,14-16H2