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

Systemtic Name: 1H-indol-3-yl 5-chloranyl-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxidanylidene-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-yl-piperazin-1-ium-1-carboxylate Openeye Name: 1H-indol-3-yl 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-isopropoxyphenyl)-2-oxo-4-(4-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-yl-1-piperazin-1-iumcarboxylic acid 1H-indol-3-yl ester IUPAC Name: 1H-indol-3-yl 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-ylpiperazin-1-ium-1-carboxylate Traditional Name: 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-isopropoxyphenyl)-2-keto-4-(4-pyridyl)piperazin-1-ium-1-carboxylic acid 1H-indol-3-yl ester Formula: C35H34ClN4O8S+ MolecularWeight: 706.18446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2C(=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

CC(C)OC1=CC=CC=C1C2C(=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/C35H34ClN4O8S/c1-22(2)47-28-12-8-6-10-26(28)33-34(41)40(21-32(36)39(33)23-15-17-37-18-16-23,35(42)48-30-20-38-27-11-7-5-9-25(27)30)49(43,44)31-14-13-24(45-3)19-29(31)46-4/h5-20,22,32-33,38H,21H2,1-4H3/q+1