N-[4-[(2-methyl-5-methylsulfonyl-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(2-methyl-5-methylsulfonyl-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(2-methyl-5-methylsulfonyl-anilino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(2-methyl-5-methylsulfonylanilino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(2-methyl-5-methylsulfonylanilino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-(5-mesyl-2-methyl-anilino)butyl]adamantane-1-carboxamide Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N2O4S/c1-15-5-6-19(30(2,28)29)11-20(15)25-21(26)4-3-7-24-22(27)23-12-16-8-17(13-23)10-18(9-16)14-23/h5-6,11,16-18H,3-4,7-10,12-14H2,1-2H3,(H,24,27)(H,25,26)