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

Systemtic Name: N-[3-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]propyl]-2-phenethyloxy-ethanesulfonamide Openeye Name: N-[3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]propyl]-2-phenethyloxy-ethanesulfonamide CAS Name: N-[3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]propyl]-2-phenethyloxyethanesulfonamide IUPAC Name: N-[3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]propyl]-2-phenethyloxyethanesulfonamide Traditional Name: N-[3-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]propyl]-2-phenethyloxy-ethanesulfonamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCS(=O)(=O)NCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)CCOCCS(=O)(=O)NCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

InChI

InChI=1S/C22H29N3O5S2/c26-19-8-7-18(21-20(19)25-22(27)31-21)9-13-23-11-4-12-24-32(28,29)16-15-30-14-10-17-5-2-1-3-6-17/h1-3,5-8,23-24,26H,4,9-16H2,(H,25,27)