(2S)-N-(1-adamantylmethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1-adamantylmethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-adamantylmethyl)-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1-adamantylmethyl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1-adamantylmethyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-adamantylmethyl)-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide Formula: C20H27BrN2O3S2 MolecularWeight: 487.47398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H27BrN2O3S2/c21-17-3-4-18(27-17)28(25,26)23-5-1-2-16(23)19(24)22-12-20-9-13-6-14(10-20)8-15(7-13)11-20/h3-4,13-16H,1-2,5-12H2,(H,22,24)/t13?,14?,15?,16-,20?/m0/s1