(3-methylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (3-methylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: m-tolylmethyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (3-methylbenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H27NO4S/c1-18-6-5-7-20(16-18)17-27-22(24)13-10-19-8-11-21(12-9-19)28(25,26)23-14-3-2-4-15-23/h5-9,11-12,16H,2-4,10,13-15,17H2,1H3