N-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]adamantane-1-carboxamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O4S/c1-17-5-6-21(33(31,32)28-7-3-2-4-8-28)12-22(17)27-23(29)16-26-24(30)25-13-18-9-19(14-25)11-20(10-18)15-25/h5-6,12,18-20H,2-4,7-11,13-16H2,1H3,(H,26,30)(H,27,29)