2-[4-ethoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]-1,2-thiazinane 1,1-dioxide

Systemtic Name: 2-[4-ethoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]-1,2-thiazinane 1,1-dioxide Openeye Name: 2-[4-ethoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]thiazinane 1,1-dioxide CAS Name: 2-[4-ethoxy-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]thiazinane 1,1-dioxide IUPAC Name: 2-[4-ethoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]thiazinane 1,1-dioxide Traditional Name: 2-[4-ethoxy-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenyl]thiazinane 1,1-dioxide Formula: C21H29N4O5S2+ MolecularWeight: 481.60876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N2CCCCS2(=O)=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCOC1=C(C=C(C=C1)N2CCCCS2(=O)=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H28N4O5S2/c1-2-30-19-9-8-18(25-11-5-6-16-31(25,26)27)17-20(19)32(28,29)24-14-12-23(13-15-24)21-7-3-4-10-22-21/h3-4,7-10,17H,2,5-6,11-16H2,1H3/p+1