2-(3-bromanylpyridin-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(3-bromanylpyridin-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)-3-(4-morpholinosulfonylanilino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-(3,4-dimethoxyphenyl)-3-mercapto-3-[4-(4-morpholinylsulfonyl)anilino]-2-propen-1-one IUPAC Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)-3-(4-morpholin-4-ylsulfonylanilino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)-3-mercapto-3-(4-morpholinosulfonylanilino)prop-2-en-1-one Formula: C26H27BrN3O6S2+ MolecularWeight: 621.54308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S)[N+]4=CC=CC(=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S)[N+]4=CC=CC(=C4)Br)OC

InChI

InChI=1S/C26H26BrN3O6S2/c1-34-22-10-5-18(16-23(22)35-2)25(31)24(29-11-3-4-19(27)17-29)26(37)28-20-6-8-21(9-7-20)38(32,33)30-12-14-36-15-13-30/h3-11,16-17H,12-15H2,1-2H3,(H-,28,31,37)/p+1