N-[2-[2-(2-methanoylphenyl)sulfanylethoxy]ethyl]-3-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]propane-1-sulfonamide hydrochloride

Systemtic Name: N-[2-[2-(2-methanoylphenyl)sulfanylethoxy]ethyl]-3-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]propane-1-sulfonamide hydrochloride Openeye Name: N-[2-[2-(2-formylphenyl)sulfanylethoxy]ethyl]-3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]propane-1-sulfonamide hydrochloride CAS Name: N-[2-[2-[(2-formylphenyl)thio]ethoxy]ethyl]-3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]-1-propanesulfonamide hydrochloride IUPAC Name: N-[2-[2-(2-formylphenyl)sulfanylethoxy]ethyl]-3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]propane-1-sulfonamide hydrochloride Traditional Name: N-[2-[2-[(2-formylphenyl)thio]ethoxy]ethyl]-3-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]propane-1-sulfonamide hydrochloride Formula: C23H30ClN3O6S3 MolecularWeight: 576.1488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=O)SCCOCCNS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.Cl

Isomeric SMILES

C1=CC=C(C(=C1)C=O)SCCOCCNS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.Cl

InChI

InChI=1S/C23H29N3O6S3.ClH/c27-16-18-4-1-2-5-20(18)33-14-13-32-12-11-25-35(30,31)15-3-9-24-10-8-17-6-7-19(28)21-22(17)34-23(29)26-21;/h1-2,4-7,16,24-25,28H,3,8-15H2,(H,26,29);1H