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

Systemtic Name: (3-methylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: m-tolyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid m-tolyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-17-6-5-7-19(16-17)26-21(23)13-10-18-8-11-20(12-9-18)27(24,25)22-14-3-2-4-15-22/h5-9,11-12,16H,2-4,10,13-15H2,1H3