methyl (3S,4R)-4-(4-methoxyphenyl)-1-(1-methylsulfonylpiperidin-4-yl)carbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl (3S,4R)-4-(4-methoxyphenyl)-1-(1-methylsulfonylpiperidin-4-yl)carbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl (3S,4R)-4-(4-methoxyphenyl)-1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-(4-methoxyphenyl)-1-[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(4-methoxyphenyl)-1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-1-(1-mesylisonipecotoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CC2C(=O)OC)C(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CN(C[C@H]2C(=O)OC)C(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H28N2O6S/c1-27-16-6-4-14(5-7-16)17-12-21(13-18(17)20(24)28-2)19(23)15-8-10-22(11-9-15)29(3,25)26/h4-7,15,17-18H,8-13H2,1-3H3/t17-,18+/m0/s1