methyl 2-(2-butoxyphenyl)sulfonyl-1-pyridin-3-yloxy-pyrrolidine-2-carboxylate

Systemtic Name: methyl 2-(2-butoxyphenyl)sulfonyl-1-pyridin-3-yloxy-pyrrolidine-2-carboxylate Openeye Name: methyl 2-(2-butoxyphenyl)sulfonyl-1-(3-pyridyloxy)pyrrolidine-2-carboxylate CAS Name: 2-(2-butoxyphenyl)sulfonyl-1-(3-pyridinyloxy)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-butoxyphenyl)sulfonyl-1-pyridin-3-yloxypyrrolidine-2-carboxylate Traditional Name: 2-(2-butoxyphenyl)sulfonyl-1-(3-pyridyloxy)pyrrolidine-2-carboxylic acid methyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1S(=O)(=O)C2(CCCN2OC3=CN=CC=C3)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC=C1S(=O)(=O)C2(CCCN2OC3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O6S/c1-3-4-15-28-18-10-5-6-11-19(18)30(25,26)21(20(24)27-2)12-8-14-23(21)29-17-9-7-13-22-16-17/h5-7,9-11,13,16H,3-4,8,12,14-15H2,1-2H3