N-[3-methyl-1-oxidanylidene-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]propyl]adamantane-1-carboxamide Formula: C24H35N3O4S2 MolecularWeight: 493.6824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N3O4S2/c1-16(2)21(25-23(29)24-13-17-10-18(14-24)12-19(11-17)15-24)22(28)26-5-7-27(8-6-26)33(30,31)20-4-3-9-32-20/h3-4,9,16-19,21H,5-8,10-15H2,1-2H3,(H,25,29)