methyl 1-[3-(hydroxymethyl)-2,4-dimethyl-phenyl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[3-(hydroxymethyl)-2,4-dimethyl-phenyl]sulfonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[3-(hydroxymethyl)-2,4-dimethyl-phenyl]sulfonylpyrrolidine-2-carboxylate CAS Name: 1-[3-(hydroxymethyl)-2,4-dimethylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(hydroxymethyl)-2,4-dimethylphenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(2,4-dimethyl-3-methylol-phenyl)sulfonylpyrrolidine-2-carboxylic acid methyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC)C)CO

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC)C)CO

InChI

InChI=1S/C15H21NO5S/c1-10-6-7-14(11(2)12(10)9-17)22(19,20)16-8-4-5-13(16)15(18)21-3/h6-7,13,17H,4-5,8-9H2,1-3H3