ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxyphenyl)-1-propylsulfonyl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxyphenyl)-1-propylsulfonyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxyphenyl)-1-propylsulfonyl-pyrrolidine-3-carboxylate CAS Name: 5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-(4-methoxyphenyl)-1-propylsulfonyl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxyphenyl)-1-propylsulfonylpyrrolidine-3-carboxylate Traditional Name: 5-[(4-fluorobenzyl)carbamoyl]-2-(4-methoxyphenyl)-1-propylsulfonyl-pyrrolidine-3-carboxylic acid ethyl ester Formula: C25H31FN2O6S MolecularWeight: 506.586843

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1C(CC(C1C2=CC=C(C=C2)OC)C(=O)OCC)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCS(=O)(=O)N1C(CC(C1C2=CC=C(C=C2)OC)C(=O)OCC)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C25H31FN2O6S/c1-4-14-35(31,32)28-22(24(29)27-16-17-6-10-19(26)11-7-17)15-21(25(30)34-5-2)23(28)18-8-12-20(33-3)13-9-18/h6-13,21-23H,4-5,14-16H2,1-3H3,(H,27,29)