N-(2-azanylethyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-3-methylsulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-3-methylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(1,3-benzodioxole-5-carbonyl)-3-methylsulfonyl-imidazolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-methylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(1,3-benzodioxole-5-carbonyl)-3-methylsulfonylimidazolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-mesyl-3-piperonyloyl-imidazolidine-2-carboxamide Formula: C15H20N4O6S MolecularWeight: 384.4075

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C1C(=O)NCCN)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N1CCN(C1C(=O)NCCN)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H20N4O6S/c1-26(22,23)19-7-6-18(14(19)13(20)17-5-4-16)15(21)10-2-3-11-12(8-10)25-9-24-11/h2-3,8,14H,4-7,9,16H2,1H3,(H,17,20)