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

Systemtic Name: 1H-indol-3-yl 5-chloranyl-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxidanylidene-4-pyridin-4-yl-piperazin-1-ium-1-carboxylate Openeye Name: 1H-indol-3-yl 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-4-(4-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-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-3-(2-methoxyphenyl)-2-oxo-4-pyridin-4-ylpiperazin-1-ium-1-carboxylate Traditional Name: 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-keto-3-(2-methoxyphenyl)-4-(4-pyridyl)piperazin-1-ium-1-carboxylic acid 1H-indol-3-yl ester Formula: C33H30ClN4O8S+ MolecularWeight: 678.1313

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)[N+]2(CC(N(C(C2=O)C3=CC=CC=C3OC)C4=CC=NC=C4)Cl)C(=O)OC5=CNC6=CC=CC=C65)OC

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)[N+]2(CC(N(C(C2=O)C3=CC=CC=C3OC)C4=CC=NC=C4)Cl)C(=O)OC5=CNC6=CC=CC=C65)OC

InChI

InChI=1S/C33H30ClN4O8S/c1-43-22-12-13-29(27(18-22)45-3)47(41,42)38(33(40)46-28-19-36-25-10-6-4-8-23(25)28)20-30(34)37(21-14-16-35-17-15-21)31(32(38)39)24-9-5-7-11-26(24)44-2/h4-19,30-31,36H,20H2,1-3H3/q+1