N2-(4-azanylcyclohexyl)-N1-(3-bromophenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(3-bromophenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(3-bromophenyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(3-bromophenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(3-bromophenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-(3-bromophenyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C22H28BrN5O4S2 MolecularWeight: 570.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H28BrN5O4S2/c23-15-4-1-5-18(14-15)26-22(30)27-11-3-12-28(34(31,32)19-6-2-13-33-19)21(27)20(29)25-17-9-7-16(24)8-10-17/h1-2,4-6,13-14,16-17,21H,3,7-12,24H2,(H,25,29)(H,26,30)