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

Systemtic Name: N-[(5S,7R)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-1-adamantyl]ethanamide Openeye Name: N-[(5S,7R)-3-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]-1-adamantyl]acetamide CAS Name: N-[(5S,7R)-3-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1-adamantyl]acetamide IUPAC Name: N-[(5S,7R)-3-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)-1-adamantyl]acetamide Traditional Name: N-[(5S,7R)-3-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]-1-adamantyl]acetamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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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=CS5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H29N3O4S2/c1-15(25)22-21-12-16-9-17(13-21)11-20(10-16,14-21)19(26)23-4-6-24(7-5-23)30(27,28)18-3-2-8-29-18/h2-3,8,16-17H,4-7,9-14H2,1H3,(H,22,25)/t16-,17+,20?,21?