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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(4-aminocyclohexyl)carbamoyl]-3-benzylsulfonyl-hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-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-[(4-aminocyclohexyl)carbamoyl]-3-benzylsulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-benzylsulfonyl-hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C29H46N4O5S MolecularWeight: 562.76434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C29H46N4O5S/c1-20(2)25-15-10-21(3)18-26(25)38-29(35)32-16-7-17-33(39(36,37)19-22-8-5-4-6-9-22)28(32)27(34)31-24-13-11-23(30)12-14-24/h4-6,8-9,20-21,23-26,28H,7,10-19,30H2,1-3H3,(H,31,34)