N-[(5S,7R)-3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-1-adamantyl]ethanamide

Systemtic Name: N-[(5S,7R)-3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-1-adamantyl]ethanamide Openeye Name: N-[(5S,7R)-3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-1-adamantyl]acetamide CAS Name: N-[(5S,7R)-3-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-1-adamantyl]acetamide IUPAC Name: N-[(5S,7R)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1-adamantyl]acetamide Traditional Name: N-[(5S,7R)-3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-1-adamantyl]acetamide Formula: C21H28ClN3O4S2 MolecularWeight: 486.04772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=C(S5)Cl

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C21H28ClN3O4S2/c1-14(26)23-21-11-15-8-16(12-21)10-20(9-15,13-21)19(27)24-4-6-25(7-5-24)31(28,29)18-3-2-17(22)30-18/h2-3,15-16H,4-13H2,1H3,(H,23,26)/t15-,16+,20?,21?