N-(4-azanylcyclohexyl)-1-(4-tert-butylphenyl)carbonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-tert-butylphenyl)carbonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-tert-butylphenyl)-oxomethyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-2-carboxamide Formula: C28H37FN4O4S MolecularWeight: 544.681183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H37FN4O4S/c1-28(2,3)20-7-5-19(6-8-20)27(35)32-17-4-18-33(38(36,37)24-15-9-21(29)10-16-24)26(32)25(34)31-23-13-11-22(30)12-14-23/h5-10,15-16,22-23,26H,4,11-14,17-18,30H2,1-3H3,(H,31,34)