(phenylmethyl) 2-[(4-methylpiperidin-1-yl)sulfonylmethyl]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[(4-methylpiperidin-1-yl)sulfonylmethyl]-3-phenyl-propanoate Openeye Name: benzyl 2-benzyl-3-[(4-methyl-1-piperidyl)sulfonyl]propanoate CAS Name: 2-[(4-methyl-1-piperidinyl)sulfonylmethyl]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-3-(4-methylpiperidin-1-yl)sulfonylpropanoate Traditional Name: 2-benzyl-3-(4-methylpiperidino)sulfonyl-propionic acid benzyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H29NO4S/c1-19-12-14-24(15-13-19)29(26,27)18-22(16-20-8-4-2-5-9-20)23(25)28-17-21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3