methyl 2-[4-[4-(3-methanoylphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoate

Systemtic Name: methyl 2-[4-[4-(3-methanoylphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoate Openeye Name: methyl 2-[[4-[4-(3-formylphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoate CAS Name: 2-[[4-[4-(3-formylphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-[4-(3-formylphenyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoate Traditional Name: 2-[4-[4-(3-formylphenyl)-3-methyl-phenyl]piperidino]sulfonyl-2-methyl-propionic acid methyl ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)OC)C3=CC(=CC=C3)C=O

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)OC)C3=CC(=CC=C3)C=O

InChI

InChI=1S/C24H29NO5S/c1-17-14-20(8-9-22(17)21-7-5-6-18(15-21)16-26)19-10-12-25(13-11-19)31(28,29)24(2,3)23(27)30-4/h5-9,14-16,19H,10-13H2,1-4H3