methyl 4-[(3,3-dimethylpiperidin-1-yl)sulfonylmethyl]benzoate

Systemtic Name: methyl 4-[(3,3-dimethylpiperidin-1-yl)sulfonylmethyl]benzoate Openeye Name: methyl 4-[(3,3-dimethyl-1-piperidyl)sulfonylmethyl]benzoate CAS Name: 4-[(3,3-dimethyl-1-piperidinyl)sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,3-dimethylpiperidin-1-yl)sulfonylmethyl]benzoate Traditional Name: 4-[(3,3-dimethylpiperidino)sulfonylmethyl]benzoic acid methyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1(CCCN(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C16H23NO4S/c1-16(2)9-4-10-17(12-16)22(19,20)11-13-5-7-14(8-6-13)15(18)21-3/h5-8H,4,9-12H2,1-3H3