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

Systemtic Name: N-(2-azanylethyl)-1-(3-fluorophenyl)carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-methylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-fluorophenyl)-oxomethyl]-3-methylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-mesyl-hexahydropyrimidine-2-carboxamide Formula: C15H21FN4O4S MolecularWeight: 372.415043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21FN4O4S/c1-25(23,24)20-9-3-8-19(14(20)13(21)18-7-6-17)15(22)11-4-2-5-12(16)10-11/h2,4-5,10,14H,3,6-9,17H2,1H3,(H,18,21)