N-[2-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-2-phenethyloxy-ethanesulfonamide

Systemtic Name: N-[2-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-2-phenethyloxy-ethanesulfonamide Openeye Name: N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-2-phenethyloxy-ethanesulfonamide CAS Name: N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-2-phenethyloxyethanesulfonamide IUPAC Name: N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-2-phenethyloxyethanesulfonamide Traditional Name: N-[2-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-2-phenethyloxy-ethanesulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCS(=O)(=O)NCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)CCOCCS(=O)(=O)NCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

InChI

InChI=1S/C21H27N3O5S2/c25-18-7-6-17(20-19(18)24-21(26)30-20)8-10-22-11-12-23-31(27,28)15-14-29-13-9-16-4-2-1-3-5-16/h1-7,22-23,25H,8-15H2,(H,24,26)