N-[3-[(2-methyl-5-methylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(2-methyl-5-methylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-(2-methyl-5-methylsulfonyl-anilino)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-(5-mesyl-2-methyl-anilino)propyl]adamantane-1-carboxamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-14-3-4-18(29(2,27)28)10-19(14)24-20(25)5-6-23-21(26)22-11-15-7-16(12-22)9-17(8-15)13-22/h3-4,10,15-17H,5-9,11-13H2,1-2H3,(H,23,26)(H,24,25)