(5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(2-aminoethylcarbamoyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-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-(2-aminoethylcarbamoyl)-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C24H37FN4O5S MolecularWeight: 512.637783

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=C(C=C3)F)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=C(C=C3)F)C(C)C

InChI

InChI=1S/C24H37FN4O5S/c1-16(2)20-10-5-17(3)15-21(20)34-24(31)28-13-4-14-29(23(28)22(30)27-12-11-26)35(32,33)19-8-6-18(25)7-9-19/h6-9,16-17,20-21,23H,4-5,10-15,26H2,1-3H3,(H,27,30)