N2-(4-azanylcyclohexyl)-3-(phenylmethyl)sulfonyl-N1-(4-propan-2-ylphenyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(phenylmethyl)sulfonyl-N1-(4-propan-2-ylphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-benzylsulfonyl-N1-(4-isopropylphenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-(phenylmethyl)sulfonyl-N1-(4-propan-2-ylphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-benzylsulfonyl-1-N-(4-propan-2-ylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-benzylsulfonyl-N-p-cumenyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C28H39N5O4S MolecularWeight: 541.70536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N5O4S/c1-20(2)22-9-13-25(14-10-22)31-28(35)32-17-6-18-33(38(36,37)19-21-7-4-3-5-8-21)27(32)26(34)30-24-15-11-23(29)12-16-24/h3-5,7-10,13-14,20,23-24,27H,6,11-12,15-19,29H2,1-2H3,(H,30,34)(H,31,35)