N-[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(4-methylphenyl)adamantane-1-carboxamide

Systemtic Name: N-[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(p-tolyl)adamantane-1-carboxamide CAS Name: N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: N-[(3R)-1,1-diketo-2,3-dihydrothiophen-3-yl]-N-(p-tolyl)adamantane-1-carboxamide Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)N([C@H]2CS(=O)(=O)C=C2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27NO3S/c1-15-2-4-19(5-3-15)23(20-6-7-27(25,26)14-20)21(24)22-11-16-8-17(12-22)10-18(9-16)13-22/h2-7,16-18,20H,8-14H2,1H3/t16?,17?,18?,20-,22?/m1/s1