3-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]-N-[2-(2-phenylsulfanylethoxy)ethyl]propane-1-sulfonamide

Systemtic Name: 3-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]-N-[2-(2-phenylsulfanylethoxy)ethyl]propane-1-sulfonamide Openeye Name: 3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]-N-[2-(2-phenylsulfanylethoxy)ethyl]propane-1-sulfonamide CAS Name: 3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]-N-[2-[2-(phenylthio)ethoxy]ethyl]-1-propanesulfonamide IUPAC Name: 3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]-N-[2-(2-phenylsulfanylethoxy)ethyl]propane-1-sulfonamide Traditional Name: 3-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]-N-[2-[2-(phenylthio)ethoxy]ethyl]propane-1-sulfonamide Formula: C22H29N3O5S3 MolecularWeight: 511.67776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCOCCNS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)SCCOCCNS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

InChI

InChI=1S/C22H29N3O5S3/c26-19-8-7-17(21-20(19)25-22(27)32-21)9-11-23-10-4-16-33(28,29)24-12-13-30-14-15-31-18-5-2-1-3-6-18/h1-3,5-8,23-24,26H,4,9-16H2,(H,25,27)