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

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(3-chlorophenyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-benzylsulfonyl-N1-(3-chlorophenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(3-chlorophenyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-benzylsulfonyl-1-N-(3-chlorophenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-benzylsulfonyl-N-(3-chlorophenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C25H32ClN5O4S MolecularWeight: 534.07068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H32ClN5O4S/c26-19-8-4-9-22(16-19)29-25(33)30-14-5-15-31(36(34,35)17-18-6-2-1-3-7-18)24(30)23(32)28-21-12-10-20(27)11-13-21/h1-4,6-9,16,20-21,24H,5,10-15,17,27H2,(H,28,32)(H,29,33)