N-(2-azanylethyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(5-bromonicotinoyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-2-carboxamide Formula: C19H21BrFN5O4S MolecularWeight: 514.368543

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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(=CN=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrFN5O4S/c20-14-10-13(11-23-12-14)19(28)25-8-1-9-26(18(25)17(27)24-7-6-22)31(29,30)16-4-2-15(21)3-5-16/h2-5,10-12,18H,1,6-9,22H2,(H,24,27)