[4-(phenylmethyl)sulfonylphenyl]methyl 3-acetamidobenzoate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 3-acetamidobenzoate Openeye Name: (4-benzylsulfonylphenyl)methyl 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid (4-benzylsulfonylbenzyl) ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H21NO5S/c1-17(25)24-21-9-5-8-20(14-21)23(26)29-15-18-10-12-22(13-11-18)30(27,28)16-19-6-3-2-4-7-19/h2-14H,15-16H2,1H3,(H,24,25)