N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NC[C@@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H27N3O6S/c1-16-8-10-28(11-9-16)35(31,32)18-6-7-21-19(12-18)24(29)20(14-26-21)25(30)27-13-17-15-33-22-4-2-3-5-23(22)34-17/h2-7,12,14,16-17H,8-11,13,15H2,1H3,(H,26,29)(H,27,30)/t17-/m1/s1