N,N,4-trimethyl-3-[[2-(3-methylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)-3-oxidanylidene-1-sulfanyl-prop-1-enyl]amino]benzenesulfonamide

Systemtic Name: N,N,4-trimethyl-3-[[2-(3-methylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)-3-oxidanylidene-1-sulfanyl-prop-1-enyl]amino]benzenesulfonamide Openeye Name: N,N,4-trimethyl-3-[[2-(3-methylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)-3-oxo-1-sulfanyl-prop-1-enyl]amino]benzenesulfonamide CAS Name: 3-[[1-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]amino]-N,N,4-trimethylbenzenesulfonamide IUPAC Name: N,N,4-trimethyl-3-[[2-(3-methylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)-3-oxo-1-sulfanylprop-1-enyl]amino]benzenesulfonamide Traditional Name: 3-[[3-keto-1-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)prop-1-enyl]amino]-N,N,4-trimethyl-benzenesulfonamide Formula: C24H25N4O5S2+ MolecularWeight: 513.6091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C)S)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C)S)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O5S2/c1-16-6-5-13-27(15-16)22(23(29)18-8-10-19(11-9-18)28(30)31)24(34)25-21-14-20(12-7-17(21)2)35(32,33)26(3)4/h5-15H,1-4H3,(H-,25,29,34)/p+1