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

Systemtic Name: N-(2-azanylethyl)-1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-mesyl-hexahydropyrimidine-2-carboxamide Formula: C14H21FN4O5S2 MolecularWeight: 408.468743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN4O5S2/c1-25(21,22)18-9-2-10-19(14(18)13(20)17-8-7-16)26(23,24)12-5-3-11(15)4-6-12/h3-6,14H,2,7-10,16H2,1H3,(H,17,20)