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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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