(4-ethoxyphenyl)sulfonyl-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]azanide

Systemtic Name: (4-ethoxyphenyl)sulfonyl-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]azanide Openeye Name: (4-ethoxyphenyl)sulfonyl-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]azanide CAS Name: (4-ethoxyphenyl)sulfonyl-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-quinoxalinyl]azanide IUPAC Name: (4-ethoxyphenyl)sulfonyl-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: [3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]-p-phenetylsulfonyl-azanide Formula: C22H27N5O3S MolecularWeight: 441.54648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4CCC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4CCC[NH+](CC4)C

InChI

InChI=1S/C22H26N5O3S/c1-3-30-17-9-11-18(12-10-17)31(28,29)25-21-22(27-14-6-13-26(2)15-16-27)24-20-8-5-4-7-19(20)23-21/h4-5,7-12H,3,6,13-16H2,1-2H3/q-1/p+1