N-[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl]adamantane-1-carboxamide Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H35N3O5S/c1-33-21-6-5-20(12-22(21)34(31,32)28-7-3-2-4-8-28)27-23(29)16-26-24(30)25-13-17-9-18(14-25)11-19(10-17)15-25/h5-6,12,17-19H,2-4,7-11,13-16H2,1H3,(H,26,30)(H,27,29)