3-[2,2-bis(oxidanylidene)-1-quinolin-3-yl-4,2$l^{6},1-benzoxathiazin-3-yl]-N-methyl-propan-1-amine

Systemtic Name: 3-[2,2-bis(oxidanylidene)-1-quinolin-3-yl-4,2$l^{6},1-benzoxathiazin-3-yl]-N-methyl-propan-1-amine Openeye Name: 3-[2,2-dioxo-1-(3-quinolyl)-4,2$l^{6},1-benzoxathiazin-3-yl]-N-methyl-propan-1-amine CAS Name: 3-[2,2-dioxo-1-(3-quinolinyl)-4,2$l^{6},1-benzoxathiazin-3-yl]-N-methyl-1-propanamine IUPAC Name: 3-(2,2-dioxo-1-quinolin-3-yl-4,2$l^{6},1-benzoxathiazin-3-yl)-N-methylpropan-1-amine Traditional Name: 3-[2,2-diketo-1-(3-quinolyl)-4,2$l^{6},1-benzoxathiazin-3-yl]propyl-methyl-amine Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC1OC2=CC=CC=C2N(S1(=O)=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CNCCCC1OC2=CC=CC=C2N(S1(=O)=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H21N3O3S/c1-21-12-6-11-20-26-19-10-5-4-9-18(19)23(27(20,24)25)16-13-15-7-2-3-8-17(15)22-14-16/h2-5,7-10,13-14,20-21H,6,11-12H2,1H3