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

Systemtic Name: methyl 2-[(1-methylpiperidin-4-yl)sulfonylmethyl]-3-phenyl-propanoate Openeye Name: methyl 2-benzyl-3-[(1-methyl-4-piperidyl)sulfonyl]propanoate CAS Name: 2-[(1-methyl-4-piperidinyl)sulfonylmethyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-(1-methylpiperidin-4-yl)sulfonylpropanoate Traditional Name: 2-benzyl-3-[(1-methyl-4-piperidyl)sulfonyl]propionic acid methyl ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN1CCC(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H25NO4S/c1-18-10-8-16(9-11-18)23(20,21)13-15(17(19)22-2)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3