N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(3,5-dimethylpiperidino)sulfonyl-4-keto-1H-quinoline-3-carboxamide Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4COC5=CC=CC=C5O4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4COC5=CC=CC=C5O4)C

InChI

InChI=1S/C26H29N3O6S/c1-16-9-17(2)14-29(13-16)36(32,33)19-7-8-22-20(10-19)25(30)21(12-27-22)26(31)28-11-18-15-34-23-5-3-4-6-24(23)35-18/h3-8,10,12,16-18H,9,11,13-15H2,1-2H3,(H,27,30)(H,28,31)