2-(3-methylpyridin-1-ium-1-yl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(3-methylpyridin-1-ium-1-yl)-3-(4-morpholinosulfonylanilino)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-3-[4-(4-morpholinylsulfonyl)anilino]-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 2-(3-methylpyridin-1-ium-1-yl)-3-(4-morpholin-4-ylsulfonylanilino)-1-(4-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(4-morpholinosulfonylanilino)-1-(4-nitrophenyl)prop-2-en-1-one Formula: C25H25N4O6S2+ MolecularWeight: 541.6192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O6S2/c1-18-3-2-12-27(17-18)23(24(30)19-4-8-21(9-5-19)29(31)32)25(36)26-20-6-10-22(11-7-20)37(33,34)28-13-15-35-16-14-28/h2-12,17H,13-16H2,1H3,(H-,26,30,36)/p+1