3-[[1-(1,3-benzodioxol-5-ylcarbonyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(1,3-benzodioxol-5-ylcarbonyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(1,3-benzodioxole-5-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(1,3-benzodioxole-5-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-(3-nitrophenyl)-3-[[1-piperonyloyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C25H22N4O10S2 MolecularWeight: 602.59298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC(CC(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC(CC(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H22N4O10S2/c30-21(31)13-18(15-3-1-4-17(11-15)29(34)35)26-23(32)24-27(8-9-28(24)41(36,37)22-5-2-10-40-22)25(33)16-6-7-19-20(12-16)39-14-38-19/h1-7,10-12,18,24H,8-9,13-14H2,(H,26,32)(H,30,31)