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

Systemtic Name: 1H-indol-3-yl 5-chloranyl-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxidanylidene-4-pyridin-3-yl-piperazin-1-ium-1-carboxylate Openeye Name: 1H-indol-3-yl 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxo-4-(3-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxo-4-(3-pyridinyl)-1-piperazin-1-iumcarboxylic acid 1H-indol-3-yl ester IUPAC Name: 1H-indol-3-yl 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxyphenyl)-2-oxo-4-pyridin-3-ylpiperazin-1-ium-1-carboxylate Traditional Name: 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-keto-3-o-phenetyl-4-(3-pyridyl)piperazin-1-ium-1-carboxylic acid 1H-indol-3-yl ester Formula: C34H32ClN4O8S+ MolecularWeight: 692.15788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=O)[N+](CC(N2C3=CN=CC=C3)Cl)(C(=O)OC4=CNC5=CC=CC=C54)S(=O)(=O)C6=C(C=C(C=C6)OC)OC

Isomeric SMILES

CCOC1=CC=CC=C1C2C(=O)[N+](CC(N2C3=CN=CC=C3)Cl)(C(=O)OC4=CNC5=CC=CC=C54)S(=O)(=O)C6=C(C=C(C=C6)OC)OC

InChI

InChI=1S/C34H32ClN4O8S/c1-4-46-27-14-8-6-12-25(27)32-33(40)39(21-31(35)38(32)22-10-9-17-36-19-22,34(41)47-29-20-37-26-13-7-5-11-24(26)29)48(42,43)30-16-15-23(44-2)18-28(30)45-3/h5-20,31-32,37H,4,21H2,1-3H3/q+1