4-[2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethyl]-1,4-thiazinan-4-ium 1,1-dioxide

Systemtic Name: 4-[2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethyl]-1,4-thiazinan-4-ium 1,1-dioxide Openeye Name: 4-[2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethyl]-1,4-thiazinan-4-ium 1,1-dioxide CAS Name: 4-[2-[1-(4-methoxyphenyl)sulfonyl-3-indolyl]ethyl]-1,4-thiazinan-4-ium 1,1-dioxide IUPAC Name: 4-[2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethyl]-1,4-thiazinan-4-ium 1,1-dioxide Traditional Name: 4-[2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethyl]-1,4-thiazinan-4-ium 1,1-dioxide Formula: C21H25N2O5S2+ MolecularWeight: 449.5636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC[NH+]4CCS(=O)(=O)CC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC[NH+]4CCS(=O)(=O)CC4

InChI

InChI=1S/C21H24N2O5S2/c1-28-18-6-8-19(9-7-18)30(26,27)23-16-17(20-4-2-3-5-21(20)23)10-11-22-12-14-29(24,25)15-13-22/h2-9,16H,10-15H2,1H3/p+1