1H-indol-3-yl 5-chloranyl-3-(2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxidanylidene-4-pyridin-2-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-2-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-(2-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 5-chloro-3-(2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-4-(2-pyridinyl)-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-2-ylpiperazin-1-ium-1-carboxylate Traditional Name: 5-chloro-3-(2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-keto-4-(2-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=CC=N3)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=CC=N3)Cl)(C(=O)OC4=CNC5=CC=CC=C54)S(=O)(=O)C6=C(C=C(C=C6)OC)OC

InChI

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