2-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]amino]-1-methyl-5-oxidanylidene-imidazol-2-ylidene]amino]ethanesulfonic acid

Systemtic Name: 2-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]amino]-1-methyl-5-oxidanylidene-imidazol-2-ylidene]amino]ethanesulfonic acid Openeye Name: 2-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]amino]-1-methyl-5-oxo-imidazol-2-ylidene]amino]ethanesulfonic acid CAS Name: 2-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2-imidazolyl]amino]-1-methyl-5-oxo-2-imidazolylidene]amino]ethanesulfonic acid IUPAC Name: 2-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]amino]-1-methyl-5-oxoimidazol-2-ylidene]amino]ethanesulfonic acid Traditional Name: 2-[[5-keto-1-methyl-4-[(1-methyl-4-piperonyl-imidazol-2-yl)amino]-3-imidazolin-2-ylidene]amino]ethanesulfonic acid Formula: C18H20N6O6S MolecularWeight: 448.453

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1NC2=NC(=NCCS(=O)(=O)O)N(C2=O)C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=C(N=C1NC2=NC(=NCCS(=O)(=O)O)N(C2=O)C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N6O6S/c1-23-9-12(7-11-3-4-13-14(8-11)30-10-29-13)20-18(23)22-15-16(25)24(2)17(21-15)19-5-6-31(26,27)28/h3-4,8-9H,5-7,10H2,1-2H3,(H,26,27,28)(H,19,20,21,22)