99U

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Summary

Name:1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one
Formula:C17 H18 N2 O3 S
Formal charge:0
Molecular weight:330.401 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.61-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H18N2O3S/c1-2-19-14-8-9-15(23(21,22)18-10-3-4-11-18)12-6-5-7-13(16(12)14)17(19)20/h5-9H,2-4,10-11H2,1H3
InChIKeyInChI1.03HTONIJRZZRKKQF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCCC4
SMILESCACTVS3.385CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCCC4
SMILES_CANONICALOpenEye OEToolkits2.0.6CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4
SMILESOpenEye OEToolkits2.0.6CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4
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