(2S,4R)-4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-N-isopropyl-1-(4-quinolylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-[(4-fluorophenyl)thio]-N-propan-2-yl-1-(4-quinolinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-N-propan-2-yl-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-4-[(4-fluorophenyl)thio]-N-isopropyl-1-(4-quinolylmethyl)pyrrolidine-2-carboxamide Formula: C24H26FN3OS MolecularWeight: 423.546143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(CN1CC2=CC=NC3=CC=CC=C23)SC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](CN1CC2=CC=NC3=CC=CC=C23)SC4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3OS/c1-16(2)27-24(29)23-13-20(30-19-9-7-18(25)8-10-19)15-28(23)14-17-11-12-26-22-6-4-3-5-21(17)22/h3-12,16,20,23H,13-15H2,1-2H3,(H,27,29)/t20-,23+/m1/s1