N-(1,3-benzodioxol-5-ylmethyl)-6-(2-ethylpiperidin-1-yl)sulfonyl-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(2-ethylpiperidin-1-yl)sulfonyl-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-ethyl-1-piperidyl)sulfonyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-ethyl-1-piperidinyl)sulfonyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(2-ethylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(2-ethylpiperidino)sulfonyl-2-keto-N-piperonyl-1H-quinoline-4-carboxamide Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O6S/c1-2-17-5-3-4-10-28(17)35(31,32)18-7-8-21-19(12-18)20(13-24(29)27-21)25(30)26-14-16-6-9-22-23(11-16)34-15-33-22/h6-9,11-13,17H,2-5,10,14-15H2,1H3,(H,26,30)(H,27,29)