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

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbonylamino)-3-cyano-4-[(phenylmethyl)amino]quinolin-6-yl]sulfamic acid Openeye Name: [2-(1,3-benzodioxole-5-carbonylamino)-4-(benzylamino)-3-cyano-6-quinolyl]sulfamic acid CAS Name: [2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-cyano-4-[(phenylmethyl)amino]-6-quinolinyl]sulfamic acid IUPAC Name: [2-(1,3-benzodioxole-5-carbonylamino)-4-(benzylamino)-3-cyanoquinolin-6-yl]sulfamic acid Traditional Name: [4-(benzylamino)-3-cyano-2-(piperonyloylamino)-6-quinolyl]sulfamic acid Formula: C25H19N5O6S MolecularWeight: 517.51326

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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=CC=C5

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=CC=C5

InChI

InChI=1S/C25H19N5O6S/c26-12-19-23(27-13-15-4-2-1-3-5-15)18-11-17(30-37(32,33)34)7-8-20(18)28-24(19)29-25(31)16-6-9-21-22(10-16)36-14-35-21/h1-11,30H,13-14H2,(H,32,33,34)(H2,27,28,29,31)