N-[3-[(3-methylsulfonylphenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(3-methylsulfonylphenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-(3-methylsulfonylanilino)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-(3-methylsulfonylanilino)-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(3-methylsulfonylanilino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-(3-mesylanilino)propyl]adamantane-1-carboxamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O4S/c1-28(26,27)18-4-2-3-17(10-18)23-19(24)5-6-22-20(25)21-11-14-7-15(12-21)9-16(8-14)13-21/h2-4,10,14-16H,5-9,11-13H2,1H3,(H,22,25)(H,23,24)