(2R)-N-[4-(1-adamantylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[4-(1-adamantylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[4-(1-adamantylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2R)-N-[4-[(1-adamantylamino)-oxomethyl]phenyl]-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[4-(1-adamantylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2R)-N-[4-(1-adamantylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C28H32FN3O4S MolecularWeight: 525.634783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C[C@@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32FN3O4S/c29-22-5-9-24(10-6-22)37(35,36)32-11-1-2-25(32)27(34)30-23-7-3-21(4-8-23)26(33)31-28-15-18-12-19(16-28)14-20(13-18)17-28/h3-10,18-20,25H,1-2,11-17H2,(H,30,34)(H,31,33)/t18?,19?,20?,25-,28?/m1/s1