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A1H00

Summary
Name:(2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate
Formula:C18 H19 N O6 S
Formal charge:0
Formula weight:377.412 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H19NO6S/c1-11-7-12-8-13(5-6-15(12)19-11)25-26(20,21)14-9-16(22-2)18(24-4)17(10-14)23-3/h5-10,19H,1-4H3
InChIKeyInChI1.06VOTVHPZHTCCWTA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(cc(OC)c1OC)[S](=O)(=O)Oc2ccc3[nH]c(C)cc3c2
SMILESCACTVS3.385COc1cc(cc(OC)c1OC)[S](=O)(=O)Oc2ccc3[nH]c(C)cc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc2cc(ccc2[nH]1)OS(=O)(=O)c3cc(c(c(c3)OC)OC)OC
SMILESOpenEye OEToolkits2.0.7Cc1cc2cc(ccc2[nH]1)OS(=O)(=O)c3cc(c(c(c3)OC)OC)OC

254917

PDB entries from 2026-06-10

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