[4-(phenylmethyl)sulfonylphenyl]methyl 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (4-benzylsulfonylphenyl)methyl 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid (4-benzylsulfonylbenzyl) ester Formula: C23H21NO6S2 MolecularWeight: 471.54594

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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)CCSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)COC(=O)CCSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21NO6S2/c25-23(14-15-31-21-10-8-20(9-11-21)24(26)27)30-16-18-6-12-22(13-7-18)32(28,29)17-19-4-2-1-3-5-19/h1-13H,14-17H2