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

Systemtic Name: 3-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]-1-phenethyloxy-butane-2-sulfonamide hydrochloride Openeye Name: 3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]-1-phenethyloxy-butane-2-sulfonamide hydrochloride CAS Name: 3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]-1-phenethyloxy-2-butanesulfonamide hydrochloride IUPAC Name: 3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]-1-phenethyloxybutane-2-sulfonamide hydrochloride Traditional Name: 3-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]-1-phenethyloxy-butane-2-sulfonamide hydrochloride Formula: C21H28ClN3O5S2 MolecularWeight: 502.04712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2.ClH/c1-14(18(31(22,27)28)13-29-12-10-15-5-3-2-4-6-15)23-11-9-16-7-8-17(25)19-20(16)30-21(26)24-19;/h2-8,14,18,23,25H,9-13H2,1H3,(H,24,26)(H2,22,27,28);1H