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Summary

Name:1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one
Formula:C18 H20 N2 O4 S
Formal charge:0
Molecular weight:360.427 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.61-ethyl-6-[(2~{R})-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H20N2O4S/c1-2-19-15-8-9-16(13-6-3-7-14(17(13)15)18(19)22)25(23,24)20-10-4-5-12(20)11-21/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1
InChIKeyInChI1.03LBIMQKNDHURLPV-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[C@@H]4CO
SMILESCACTVS3.385CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH]4CO
SMILES_CANONICALOpenEye OEToolkits2.0.6CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H]4CO
SMILESOpenEye OEToolkits2.0.6CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4CO
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