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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-3-21(31(22,27)28,13-29-14(2)15-7-5-4-6-8-15)23-12-11-16-9-10-17(25)18-19(16)30-20(26)24-18/h4-10,14,23,25H,3,11-13H2,1-2H3,(H,24,26)(H2,22,27,28)