N2-(2-azanylethyl)-N1-(3-bromophenyl)-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-bromophenyl)-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-bromophenyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C20H23BrFN5O4S MolecularWeight: 528.395123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCN)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCN)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrFN5O4S/c21-14-3-1-4-16(13-14)25-20(29)26-11-2-12-27(19(26)18(28)24-10-9-23)32(30,31)17-7-5-15(22)6-8-17/h1,3-8,13,19H,2,9-12,23H2,(H,24,28)(H,25,29)