N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-4-oxidanylidene-6-piperidin-1-ylsulfonyl-quinoline-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-4-oxidanylidene-6-piperidin-1-ylsulfonyl-quinoline-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-4-oxo-6-(1-piperidylsulfonyl)quinoline-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-4-oxo-6-(1-piperidinylsulfonyl)-3-quinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-4-oxo-6-piperidin-1-ylsulfonylquinoline-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-1-methyl-6-piperidinosulfonyl-quinoline-3-carboxamide Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H27N3O6S/c1-27-15-20(25(30)26-14-17-16-33-22-7-3-4-8-23(22)34-17)24(29)19-13-18(9-10-21(19)27)35(31,32)28-11-5-2-6-12-28/h3-4,7-10,13,15,17H,2,5-6,11-12,14,16H2,1H3,(H,26,30)