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

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

C1=CC=C(C=C1)CCOCC(CCNCCC2=C3C(=C(C=C2)O)NC(=O)S3)S(=O)(=O)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOCC(CCNCCC2=C3C(=C(C=C2)O)NC(=O)S3)S(=O)(=O)N.Cl

InChI

InChI=1S/C21H27N3O5S2.ClH/c22-31(27,28)17(14-29-13-10-15-4-2-1-3-5-15)9-12-23-11-8-16-6-7-18(25)19-20(16)30-21(26)24-19;/h1-7,17,23,25H,8-14H2,(H,24,26)(H2,22,27,28);1H