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

Systemtic Name: (3-methylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: m-tolyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid m-tolyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-15-7-6-8-18(13-15)25-20(22)17-10-9-16(2)19(14-17)26(23,24)21-11-4-3-5-12-21/h6-10,13-14H,3-5,11-12H2,1-2H3