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KXK

Summary
Name:~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:C24 H31 N3 O5 S
Formal charge:0
Formula weight:473.585 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H31N3O5S/c1-16-22-18(9-5-6-10-20(22)28)23(25-16)24(29)26-19-15-17(11-12-21(19)32-2)33(30,31)27-13-7-3-4-8-14-27/h11-12,15,25H,3-10,13-14H2,1-2H3,(H,26,29)
InChIKeyInChI1.03DDRHNLQKGDBMGK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCCC4
SMILESCACTVS3.385COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCCC4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCCC4)CCCCC2=O
SMILESOpenEye OEToolkits2.0.7Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCCC4)CCCCC2=O

221716

PDB entries from 2024-06-26

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