99R

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Summary

Name:6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one
Formula:C18 H21 N3 O3 S
Formal charge:0
Molecular weight:359.443 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-[(3~{S})-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H21N3O3S/c1-2-21-15-8-9-16(13-6-3-7-14(17(13)15)18(21)22)25(23,24)20-10-4-5-12(19)11-20/h3,6-9,12H,2,4-5,10-11,19H2,1H3/t12-/m0/s1
InChIKeyInChI1.03FVVCJWPWULZKFU-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[C@H](N)C4
SMILESCACTVS3.385CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](N)C4
SMILES_CANONICALOpenEye OEToolkits2.0.6CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)N
SMILESOpenEye OEToolkits2.0.6CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)N
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