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

Systemtic Name: N-[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(3-chlorophenyl)adamantane-1-carboxamide Openeye Name: N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]adamantane-1-carboxamide CAS Name: N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-adamantanecarboxamide IUPAC Name: N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]adamantane-1-carboxamide Traditional Name: N-(3-chlorophenyl)-N-[(3R)-1,1-diketo-2,3-dihydrothiophen-3-yl]adamantane-1-carboxamide Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N(C4CS(=O)(=O)C=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1[C@@H](C=CS1(=O)=O)N(C2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24ClNO3S/c22-17-2-1-3-18(9-17)23(19-4-5-27(25,26)13-19)20(24)21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,9,14-16,19H,6-8,10-13H2/t14?,15?,16?,19-,21?/m1/s1