1H-indol-3-yl 3-chloranyl-1-(2,4-dimethoxyphenyl)sulfonyl-2-methoxy-5-(2-methoxyphenyl)-6-oxidanylidene-4-pyridin-4-yl-piperazin-1-ium-1-carboxylate

Systemtic Name: 1H-indol-3-yl 3-chloranyl-1-(2,4-dimethoxyphenyl)sulfonyl-2-methoxy-5-(2-methoxyphenyl)-6-oxidanylidene-4-pyridin-4-yl-piperazin-1-ium-1-carboxylate Openeye Name: 1H-indol-3-yl 3-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-methoxy-5-(2-methoxyphenyl)-6-oxo-4-(4-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 3-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-methoxy-5-(2-methoxyphenyl)-6-oxo-4-pyridin-4-yl-1-piperazin-1-iumcarboxylic acid 1H-indol-3-yl ester IUPAC Name: 1H-indol-3-yl 3-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-methoxy-5-(2-methoxyphenyl)-6-oxo-4-pyridin-4-ylpiperazin-1-ium-1-carboxylate Traditional Name: 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-keto-6-methoxy-3-(2-methoxyphenyl)-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:

COC1C(N(C(C(=O)[N+]1(C(=O)OC2=CNC3=CC=CC=C32)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)C6=CC=NC=C6)Cl

Isomeric SMILES

COC1C(N(C(C(=O)[N+]1(C(=O)OC2=CNC3=CC=CC=C32)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)C6=CC=NC=C6)Cl

InChI

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