(5S,7R)-3-chloranyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-(5-nosylthiazol-2-yl)adamantane-1-carboxamide Formula: C20H20ClN3O5S2 MolecularWeight: 481.9729

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=NC=C(S4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)NC4=NC=C(S4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O5S2/c21-20-8-12-5-13(9-20)7-19(6-12,11-20)17(25)23-18-22-10-16(30-18)31(28,29)15-3-1-14(2-4-15)24(26)27/h1-4,10,12-13H,5-9,11H2,(H,22,23,25)/t12-,13+,19?,20?