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4-oxidanyl-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one
4-oxidanyl-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C=C1)CCOCCS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3
Isomeric SMILES
C1=CC=C(C=C1)CCOCCS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3
InChI
InChI=1S/C22H28N2O5S2/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-12-23-11-4-15-31(27,28)16-14-29-13-10-17-5-2-1-3-6-17/h1-3,5-8,23,25H,4,9-16H2,(H,24,26)
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