(2-methylphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-methylphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: o-tolylmethyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-methylbenzyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25NO4S/c1-16-8-4-5-9-19(16)15-26-21(23)18-11-10-17(2)20(14-18)27(24,25)22-12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3