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A1BHH

Summary
Name:N-(3-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide
Formula:C18 H22 Cl N5 O3 S
Formal charge:0
Formula weight:423.917 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-(3-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide
OpenEye OEToolkits3.1.0.0~{N}-[3-[2-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]ethanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1cccc(NS(=O)(=O)CC)c1)N1CCN(CC1)c1ccc(Cl)nn1
InChIInChI1.06InChI=1S/C18H22ClN5O3S/c1-2-28(26,27)22-15-5-3-4-14(12-15)13-18(25)24-10-8-23(9-11-24)17-7-6-16(19)20-21-17/h3-7,12,22H,2,8-11,13H2,1H3
InChIKeyInChI1.06QWBLJAQSBVDGFG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[S](=O)(=O)Nc1cccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)c1
SMILESCACTVS3.385CC[S](=O)(=O)Nc1cccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCS(=O)(=O)Nc1cccc(c1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl
SMILESOpenEye OEToolkits3.1.0.0CCS(=O)(=O)Nc1cccc(c1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl

250835

PDB entries from 2026-03-18

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