N-[4-[(3-methylsulfonylphenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(3-methylsulfonylphenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(3-methylsulfonylanilino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(3-methylsulfonylanilino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3-methylsulfonylanilino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-(3-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=CC(=C1)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-29(27,28)19-5-2-4-18(11-19)24-20(25)6-3-7-23-21(26)22-12-15-8-16(13-22)10-17(9-15)14-22/h2,4-5,11,15-17H,3,6-10,12-14H2,1H3,(H,23,26)(H,24,25)