(5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(4-aminocyclohexyl)carbamoyl]-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[(4-aminocyclohexyl)carbamoyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C28H43FN4O5S MolecularWeight: 566.728223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=C(C=C4)F)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)C4=CC=C(C=C4)F)C(C)C

InChI

InChI=1S/C28H43FN4O5S/c1-18(2)24-14-5-19(3)17-25(24)38-28(35)32-15-4-16-33(39(36,37)23-12-6-20(29)7-13-23)27(32)26(34)31-22-10-8-21(30)9-11-22/h6-7,12-13,18-19,21-22,24-25,27H,4-5,8-11,14-17,30H2,1-3H3,(H,31,34)