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MSI

Summary
Name:1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE
Formula:C20 H20 N2 O5 S
Formal charge:0
Formula weight:400.448 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-1H-indole-2,3-dione
OpenEye OEToolkits1.5.01-methyl-5-[(1R,2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indole-2,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c2cc1C(=O)C(=O)N(c1cc2)C)N4C(COc3ccccc3)CCC4
SMILES_CANONICALCACTVS3.341CN1C(=O)C(=O)c2cc(ccc12)[S](=O)(=O)N3CCC[C@H]3COc4ccccc4
SMILESCACTVS3.341CN1C(=O)C(=O)c2cc(ccc12)[S](=O)(=O)N3CCC[CH]3COc4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0CN1c2ccc(cc2C(=O)C1=O)S(=O)(=O)[N@@]3CCC[C@H]3COc4ccccc4
SMILESOpenEye OEToolkits1.5.0CN1c2ccc(cc2C(=O)C1=O)S(=O)(=O)N3CCCC3COc4ccccc4
InChIInChI1.03InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1
InChIKeyInChI1.03PFAYCUAUBOGVDX-AWEZNQCLSA-N

248636

PDB entries from 2026-02-04

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