(2,5-dimethylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2,5-dimethylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2,5-dimethylphenyl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2,5-dimethylbenzyl) ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-18-6-7-19(2)21(16-18)17-28-23(25)13-10-20-8-11-22(12-9-20)29(26,27)24-14-4-3-5-15-24/h6-9,11-12,16H,3-5,10,13-15,17H2,1-2H3