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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CCOCCNS(=O)(=O)CCCNCCC2=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)9-12-23-11-4-16-32(28,29)24-13-15-30-14-10-17-5-2-1-3-6-17/h1-3,5-8,23-24,26H,4,9-16H2,(H,25,27)