methyl 1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[1-(3,4-dimethoxyphenyl)sulfonylisonipecotoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C(=O)OC)OC

InChI

InChI=1S/C20H28N2O7S/c1-27-17-7-6-15(13-18(17)28-2)30(25,26)21-11-8-14(9-12-21)19(23)22-10-4-5-16(22)20(24)29-3/h6-7,13-14,16H,4-5,8-12H2,1-3H3