[2-(1,3-benzodioxol-5-ylcarbonylamino)-3-cyano-4-(thiophen-2-ylmethylamino)quinolin-6-yl]sulfamic acid

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbonylamino)-3-cyano-4-(thiophen-2-ylmethylamino)quinolin-6-yl]sulfamic acid Openeye Name: [2-(1,3-benzodioxole-5-carbonylamino)-3-cyano-4-(2-thienylmethylamino)-6-quinolyl]sulfamic acid CAS Name: [2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-cyano-4-(thiophen-2-ylmethylamino)-6-quinolinyl]sulfamic acid IUPAC Name: [2-(1,3-benzodioxole-5-carbonylamino)-3-cyano-4-(thiophen-2-ylmethylamino)quinolin-6-yl]sulfamic acid Traditional Name: [3-cyano-2-(piperonyloylamino)-4-(2-thenylamino)-6-quinolyl]sulfamic acid Formula: C23H17N5O6S2 MolecularWeight: 523.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4)NS(=O)(=O)O)C(=C3C#N)NCC5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4)NS(=O)(=O)O)C(=C3C#N)NCC5=CC=CS5

InChI

InChI=1S/C23H17N5O6S2/c24-10-17-21(25-11-15-2-1-7-35-15)16-9-14(28-36(30,31)32)4-5-18(16)26-22(17)27-23(29)13-3-6-19-20(8-13)34-12-33-19/h1-9,28H,11-12H2,(H,30,31,32)(H2,25,26,27,29)