N-(2-azanylethyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(1,3-benzodioxole-5-carbonyl)-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-(4-fluorophenyl)sulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(1,3-benzodioxole-5-carbonyl)-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-piperonyloyl-imidazolidine-2-carboxamide Formula: C20H21FN4O6S MolecularWeight: 464.467343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCN)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCN)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4O6S/c21-14-2-4-15(5-3-14)32(28,29)25-10-9-24(19(25)18(26)23-8-7-22)20(27)13-1-6-16-17(11-13)31-12-30-16/h1-6,11,19H,7-10,12,22H2,(H,23,26)