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

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

CC1C(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

CC1C(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/C34H32ClN4O8S/c1-21-32(35)38(22-15-17-36-18-16-22)31(25-10-6-8-12-27(25)45-3)33(40)39(21,34(41)47-29-20-37-26-11-7-5-9-24(26)29)48(42,43)30-14-13-23(44-2)19-28(30)46-4/h5-21,31-32,37H,1-4H3/q+1