methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-propylsulfonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-propylsulfonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-propylsulfonyl-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 5-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-phenyl-1-propylsulfonyl-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-propylsulfonyl-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 5-[(4-fluorobenzyl)carbamoyl]-4-phenyl-1-propylsulfonyl-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C27H29FN2O5S2 MolecularWeight: 544.657963

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1C(C(C(C1C(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)OC)C4=CC=CS4

Isomeric SMILES

CCCS(=O)(=O)N1C(C(C(C1C(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)OC)C4=CC=CS4

InChI

InChI=1S/C27H29FN2O5S2/c1-3-16-37(33,34)30-24(21-10-7-15-36-21)23(27(32)35-2)22(19-8-5-4-6-9-19)25(30)26(31)29-17-18-11-13-20(28)14-12-18/h4-15,22-25H,3,16-17H2,1-2H3,(H,29,31)