1H-indol-3-yl 5-chloranyl-3-(2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxidanylidene-4-pyridin-4-yl-piperazin-1-ium-1-carboxylate

Systemtic Name: 1H-indol-3-yl 5-chloranyl-3-(2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxidanylidene-4-pyridin-4-yl-piperazin-1-ium-1-carboxylate Openeye Name: 1H-indol-3-yl 5-chloro-3-(2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-4-(4-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 5-chloro-3-(2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-4-pyridin-4-yl-1-piperazin-1-iumcarboxylic acid 1H-indol-3-yl ester IUPAC Name: 1H-indol-3-yl 5-chloro-3-(2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-4-pyridin-4-ylpiperazin-1-ium-1-carboxylate Traditional Name: 5-chloro-3-(2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-keto-4-(4-pyridyl)piperazin-1-ium-1-carboxylic acid 1H-indol-3-yl ester Formula: C34H32ClN4O9S+ MolecularWeight: 708.15728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(=O)[N+](CC(N2C3=CC=NC=C3)Cl)(C(=O)OC4=CNC5=CC=CC=C54)S(=O)(=O)C6=C(C=C(C=C6)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(=O)[N+](CC(N2C3=CC=NC=C3)Cl)(C(=O)OC4=CNC5=CC=CC=C54)S(=O)(=O)C6=C(C=C(C=C6)OC)OC

InChI

InChI=1S/C34H32ClN4O9S/c1-44-22-9-11-27(46-3)25(17-22)32-33(40)39(20-31(35)38(32)21-13-15-36-16-14-21,34(41)48-29-19-37-26-8-6-5-7-24(26)29)49(42,43)30-12-10-23(45-2)18-28(30)47-4/h5-19,31-32,37H,20H2,1-4H3/q+1