N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(3-methylpiperidin-1-yl)sulfonyl-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(3-methylpiperidin-1-yl)sulfonyl-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-[(3-methyl-1-piperidyl)sulfonyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-[(3-methyl-1-piperidinyl)sulfonyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-keto-6-(3-methylpiperidino)sulfonyl-1H-quinoline-4-carboxamide Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H27N3O6S/c1-16-5-4-10-28(14-16)35(31,32)18-8-9-21-19(11-18)20(12-24(29)27-21)25(30)26-13-17-15-33-22-6-2-3-7-23(22)34-17/h2-3,6-9,11-12,16-17H,4-5,10,13-15H2,1H3,(H,26,30)(H,27,29)