Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1CDI

Summary
Name:5-ethoxy-2-fluoro-N'-(1H-indole-6-sulfonyl)-3-methylbenzohydrazide
Formula:C18 H18 F N3 O4 S
Formal charge:0
Formula weight:391.417 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.525-ethoxy-2-fluoro-N'-(1H-indole-6-sulfonyl)-3-methylbenzohydrazide
OpenEye OEToolkits3.1.0.05-ethoxy-2-fluoranyl-~{N}'-(1~{H}-indol-6-ylsulfonyl)-3-methyl-benzohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CCOc1cc(c(F)c(C)c1)C(=O)NNS(=O)(=O)c1ccc2cc[NH]c2c1
InChIInChI1.06InChI=1S/C18H18FN3O4S/c1-3-26-13-8-11(2)17(19)15(9-13)18(23)21-22-27(24,25)14-5-4-12-6-7-20-16(12)10-14/h4-10,20,22H,3H2,1-2H3,(H,21,23)
InChIKeyInChI1.06HFIZYSCCOHLHBD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccc3cc[nH]c3c2
SMILESCACTVS3.385CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccc3cc[nH]c3c2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3cc[nH]c3c2)F)C
SMILESOpenEye OEToolkits3.1.0.0CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3cc[nH]c3c2)F)C

250359

PDB entries from 2026-03-11

PDB statisticsPDBj update infoContact PDBjnumon