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

Systemtic Name: (3-methylphenyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: m-tolyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid m-tolyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO4S/c1-14-6-5-7-16(12-14)25-19(22)15-8-9-17(20)18(13-15)26(23,24)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11H2,1H3