[4-(phenylmethyl)sulfonylphenyl]methyl 2-methylbenzoate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 2-methylbenzoate Openeye Name: (4-benzylsulfonylphenyl)methyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (4-benzylsulfonylbenzyl) ester Formula: C22H20O4S MolecularWeight: 380.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H20O4S/c1-17-7-5-6-10-21(17)22(23)26-15-18-11-13-20(14-12-18)27(24,25)16-19-8-3-2-4-9-19/h2-14H,15-16H2,1H3