(5R,7S)-3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)adamantane-1-carboxamide

Systemtic Name: (5R,7S)-3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Openeye Name: (5R,7S)-3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)adamantane-1-carboxamide CAS Name: (5R,7S)-3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5R,7S)-3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: (5R,7S)-3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(4-pyrrolidinosulfonylphenyl)adamantane-1-carboxamide Formula: C23H27BrN6O5S MolecularWeight: 579.46668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C(=NC(=N6)[N+](=O)[O-])Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)N6C(=NC(=N6)[N+](=O)[O-])Br

InChI

InChI=1S/C23H27BrN6O5S/c24-20-26-21(30(32)33)27-29(20)23-12-15-9-16(13-23)11-22(10-15,14-23)19(31)25-17-3-5-18(6-4-17)36(34,35)28-7-1-2-8-28/h3-6,15-16H,1-2,7-14H2,(H,25,31)/t15-,16+,22?,23?