N-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzodioxol-5-ylcarbonyl)-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzodioxol-5-ylcarbonyl)-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzodioxole-5-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzodioxole-5-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-piperonyloyl-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C24H24N4O6S2 MolecularWeight: 528.60056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=CC(=C4)CN)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=CC(=C4)CN)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H24N4O6S2/c25-13-16-3-1-4-17(11-16)14-26-22(29)23-27(8-9-28(23)36(31,32)21-5-2-10-35-21)24(30)18-6-7-19-20(12-18)34-15-33-19/h1-7,10-12,23H,8-9,13-15,25H2,(H,26,29)