[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-6-yl]sulfonyl-(2-ethylphenyl)azanide

Systemtic Name: [3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-6-yl]sulfonyl-(2-ethylphenyl)azanide Openeye Name: [3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-6-yl]sulfonyl-(2-ethylphenyl)azanide CAS Name: [3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-oxo-1H-quinolin-6-yl]sulfonyl-(2-ethylphenyl)azanide IUPAC Name: [3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-6-yl]sulfonyl-(2-ethylphenyl)azanide Traditional Name: (2-ethylphenyl)-[[4-keto-3-(piperonylcarbamoyl)-1H-quinolin-6-yl]sulfonyl]azanide Formula: C26H22N3O6S- MolecularWeight: 504.53438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1[N-]S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=CC=C1[N-]S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H22N3O6S/c1-2-17-5-3-4-6-21(17)29-36(32,33)18-8-9-22-19(12-18)25(30)20(14-27-22)26(31)28-13-16-7-10-23-24(11-16)35-15-34-23/h3-12,14H,2,13,15H2,1H3,(H2,27,28,30,31)/q-1