N-[1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)NC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)NC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H37N3O4S/c1-17-4-5-23(10-18(17)2)34(32,33)29-8-6-28(7-9-29)24(30)19(3)27-25(31)26-14-20-11-21(15-26)13-22(12-20)16-26/h4-5,10,19-22H,6-9,11-16H2,1-3H3,(H,27,31)