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A1L9D

Summary
Name:4-ethoxy-~{N}-[4-[(4-ethoxyphenyl)sulfonylamino]-3-(2-oxidanylidene-2-pyrrol-1-yl-ethyl)naphthalen-1-yl]benzenesulfonamide
Formula:C32 H31 N3 O7 S2
Formal charge:0
Formula weight:633.734 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-ethoxy-~{N}-[4-[(4-ethoxyphenyl)sulfonylamino]-3-(2-oxidanylidene-2-pyrrol-1-yl-ethyl)naphthalen-1-yl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C32H31N3O7S2/c1-3-41-24-11-15-26(16-12-24)43(37,38)33-30-21-23(22-31(36)35-19-7-8-20-35)32(29-10-6-5-9-28(29)30)34-44(39,40)27-17-13-25(14-18-27)42-4-2/h5-21,33-34H,3-4,22H2,1-2H3
InChIKeyInChI1.06KDYIBFKQLTXJDP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CC(=O)n3cccc3)c(N[S](=O)(=O)c4ccc(OCC)cc4)c5ccccc25
SMILESCACTVS3.385CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CC(=O)n3cccc3)c(N[S](=O)(=O)c4ccc(OCC)cc4)c5ccccc25
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)n5cccc5
SMILESOpenEye OEToolkits2.0.7CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)n5cccc5

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PDB entries from 2026-01-21

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