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Summary

Name:(4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide
Formula:C18 H18 N2 O3 S
Formal charge:0
Molecular weight:342.412 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H18N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,18,20-21H,1-3H2,(H2,19,22,23)/t18-/m0/s1
InChIKeyInChI1.03YMXRDHIBABQPGR-SFHVURJKSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc2N[C@H](C3=C(CCC3)c2c1)c4ccc(O)cc4
SMILESCACTVS3.385N[S](=O)(=O)c1ccc2N[CH](C3=C(CCC3)c2c1)c4ccc(O)cc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1[C@H]2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O
170172
PDB entries from 2020-10-21