N-[4-(1-adamantylcarbamoyl)phenyl]-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(1-adamantylcarbamoyl)phenyl]-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[4-(1-adamantylcarbamoyl)phenyl]-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide CAS Name: N-[4-[(1-adamantylamino)-oxomethyl]phenyl]-1-[(5-bromo-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(1-adamantylcarbamoyl)phenyl]-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[4-(1-adamantylcarbamoyl)phenyl]-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide Formula: C26H30BrN3O4S2 MolecularWeight: 592.5681

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H30BrN3O4S2/c27-22-7-8-23(35-22)36(33,34)30-9-1-2-21(30)25(32)28-20-5-3-19(4-6-20)24(31)29-26-13-16-10-17(14-26)12-18(11-16)15-26/h3-8,16-18,21H,1-2,9-15H2,(H,28,32)(H,29,31)