N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-2-carboxamide Formula: C20H22BrFN4O4S MolecularWeight: 513.380483

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)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrFN4O4S/c21-15-4-1-3-14(13-15)20(28)25-11-2-12-26(19(25)18(27)24-10-9-23)31(29,30)17-7-5-16(22)6-8-17/h1,3-8,13,19H,2,9-12,23H2,(H,24,27)