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

Systemtic Name: N-[4-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(2-chloro-5-methylsulfonyl-anilino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(2-chloro-5-methylsulfonylanilino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(2-chloro-5-methylsulfonylanilino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(2-chloro-5-mesyl-anilino)-4-keto-butyl]adamantane-1-carboxamide Formula: C22H29ClN2O4S MolecularWeight: 452.99466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O4S/c1-30(28,29)17-4-5-18(23)19(10-17)25-20(26)3-2-6-24-21(27)22-11-14-7-15(12-22)9-16(8-14)13-22/h4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,24,27)(H,25,26)