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

Systemtic Name: 3-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(4-morpholinosulfonylanilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-3-[4-(4-morpholinylsulfonyl)anilino]-1-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(4-morpholin-4-ylsulfonylanilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-3-(4-morpholinosulfonylanilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H23N4O6S2+ MolecularWeight: 527.59262

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=C(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+]4=CC=CC=C4)S

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=C(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+]4=CC=CC=C4)S

InChI

InChI=1S/C24H22N4O6S2/c29-23(18-4-8-20(9-5-18)28(30)31)22(26-12-2-1-3-13-26)24(35)25-19-6-10-21(11-7-19)36(32,33)27-14-16-34-17-15-27/h1-13H,14-17H2,(H-,25,29,35)/p+1