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

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[4-(benzenesulfonyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-(4-besylpiperazine-1-carbonyl)-2-methyl-propyl]adamantane-1-carboxamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O4S/c1-18(2)23(27-25(31)26-15-19-12-20(16-26)14-21(13-19)17-26)24(30)28-8-10-29(11-9-28)34(32,33)22-6-4-3-5-7-22/h3-7,18-21,23H,8-17H2,1-2H3,(H,27,31)