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

Systemtic Name: N2-(2-azanylethyl)-N1-ethyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-ethyl-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-ethyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-ethyl-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-ethyl-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C16H24FN5O4S MolecularWeight: 401.456263

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(C1C(=O)NCCN)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCNC(=O)N1CCCN(C1C(=O)NCCN)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H24FN5O4S/c1-2-19-16(24)21-10-3-11-22(15(21)14(23)20-9-8-18)27(25,26)13-6-4-12(17)5-7-13/h4-7,15H,2-3,8-11,18H2,1H3,(H,19,24)(H,20,23)