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

Systemtic Name: N-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-(4-methylsulfonylpiperazine-1-carbonyl)propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-(4-methylsulfonyl-1-piperazinyl)-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-(4-mesylpiperazine-1-carbonyl)-2-methyl-propyl]adamantane-1-carboxamide Formula: C21H35N3O4S MolecularWeight: 425.5853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H35N3O4S/c1-14(2)18(19(25)23-4-6-24(7-5-23)29(3,27)28)22-20(26)21-11-15-8-16(12-21)10-17(9-15)13-21/h14-18H,4-13H2,1-3H3,(H,22,26)