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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25NO4S/c1-16-7-6-8-18(13-16)15-26-21(23)19-10-9-17(2)20(14-19)27(24,25)22-11-4-3-5-12-22/h6-10,13-14H,3-5,11-12,15H2,1-2H3