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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(2-aminoethylcarbamoyl)-3-benzylsulfonyl-hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-(phenylmethyl)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-benzylsulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-benzylsulfonyl-hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H40N4O5S MolecularWeight: 508.6739

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H40N4O5S/c1-18(2)21-11-10-19(3)16-22(21)34-25(31)28-14-7-15-29(24(28)23(30)27-13-12-26)35(32,33)17-20-8-5-4-6-9-20/h4-6,8-9,18-19,21-22,24H,7,10-17,26H2,1-3H3,(H,27,30)