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8FC

Summary
Name:~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide
Formula:C21 H25 N3 O3 S
Formal charge:0
Formula weight:399.507 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H25N3O3S/c1-14-5-10-17(11-6-14)28(26,27)22-15-7-12-18-19(13-15)24(16-8-9-16)21(2,3)20(25)23(18)4/h5-7,10-13,16,22H,8-9H2,1-4H3
InChIKeyInChI1.03BMUTYNYGILXHBP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)C(C)(C)N(C2CC2)c3cc(N[S](=O)(=O)c4ccc(C)cc4)ccc13
SMILESCACTVS3.385CN1C(=O)C(C)(C)N(C2CC2)c3cc(N[S](=O)(=O)c4ccc(C)cc4)ccc13
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)N(C(C(=O)N3C)(C)C)C4CC4
SMILESOpenEye OEToolkits2.0.6Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)N(C(C(=O)N3C)(C)C)C4CC4

222415

PDB entries from 2024-07-10

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