N-[4-[(4-methylsulfonylphenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(4-methylsulfonylphenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-methylsulfonylanilino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(4-methylsulfonylanilino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-methylsulfonylanilino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-(4-mesylanilino)butyl]adamantane-1-carboxamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-29(27,28)19-6-4-18(5-7-19)24-20(25)3-2-8-23-21(26)22-12-15-9-16(13-22)11-17(10-15)14-22/h4-7,15-17H,2-3,8-14H2,1H3,(H,23,26)(H,24,25)