1-[2-[2-[3-[1,3-bis(oxidanyl)propan-2-ylamino]propoxy]-5-methoxy-phenyl]-6-chloranyl-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride

Systemtic Name: 1-[2-[2-[3-[1,3-bis(oxidanyl)propan-2-ylamino]propoxy]-5-methoxy-phenyl]-6-chloranyl-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride Openeye Name: 1-[6-chloro-2-[2-[3-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]propoxy]-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride CAS Name: 1-[6-chloro-2-[2-[3-(1,3-dihydroxypropan-2-ylamino)propoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride IUPAC Name: 1-[6-chloro-2-[2-[3-(1,3-dihydroxypropan-2-ylamino)propoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride Traditional Name: 1-[6-chloro-2-[2-[3-[(2-hydroxy-1-methylol-ethyl)amino]propoxy]-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride Formula: C22H28Cl2N2O5S MolecularWeight: 503.43912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC2=C1C=CC(=C2)Cl)C3=C(C=CC(=C3)OC)OCCCNC(CO)CO.Cl

Isomeric SMILES

CC(=O)N1C(SC2=C1C=CC(=C2)Cl)C3=C(C=CC(=C3)OC)OCCCNC(CO)CO.Cl

InChI

InChI=1S/C22H27ClN2O5S.ClH/c1-14(28)25-19-6-4-15(23)10-21(19)31-22(25)18-11-17(29-2)5-7-20(18)30-9-3-8-24-16(12-26)13-27;/h4-7,10-11,16,22,24,26-27H,3,8-9,12-13H2,1-2H3;1H