2-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]-1-phenethyloxy-butane-2-sulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCCC1=CC=CC=C1)(NCCC2=C3C(=C(C=C2)O)NC(=O)S3)S(=O)(=O)N

Isomeric SMILES

CCC(COCCC1=CC=CC=C1)(NCCC2=C3C(=C(C=C2)O)NC(=O)S3)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O5S2/c1-2-21(31(22,27)28,14-29-13-11-15-6-4-3-5-7-15)23-12-10-16-8-9-17(25)18-19(16)30-20(26)24-18/h3-9,23,25H,2,10-14H2,1H3,(H,24,26)(H2,22,27,28)