methyl 2-(2-butoxyphenyl)sulfonyl-1-(4-methoxy-2-sulfanyl-phenyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 2-(2-butoxyphenyl)sulfonyl-1-(4-methoxy-2-sulfanyl-phenyl)pyrrolidine-2-carboxylate Openeye Name: methyl 2-(2-butoxyphenyl)sulfonyl-1-(4-methoxy-2-sulfanyl-phenyl)pyrrolidine-2-carboxylate CAS Name: 2-(2-butoxyphenyl)sulfonyl-1-(2-mercapto-4-methoxyphenyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-butoxyphenyl)sulfonyl-1-(4-methoxy-2-sulfanylphenyl)pyrrolidine-2-carboxylate Traditional Name: 2-(2-butoxyphenyl)sulfonyl-1-(2-mercapto-4-methoxy-phenyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C23H29NO6S2 MolecularWeight: 479.60946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1S(=O)(=O)C2(CCCN2C3=C(C=C(C=C3)OC)S)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC=C1S(=O)(=O)C2(CCCN2C3=C(C=C(C=C3)OC)S)C(=O)OC

InChI

InChI=1S/C23H29NO6S2/c1-4-5-15-30-19-9-6-7-10-21(19)32(26,27)23(22(25)29-3)13-8-14-24(23)18-12-11-17(28-2)16-20(18)31/h6-7,9-12,16,31H,4-5,8,13-15H2,1-3H3