N-[2-[2-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzenesulfonamide

Systemtic Name: N-[2-[2-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzenesulfonamide Openeye Name: N-[2-[2-(4-hydroxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzenesulfonamide CAS Name: N-[2-[[2-(4-hydroxyphenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzenesulfonamide IUPAC Name: N-[2-[2-(4-hydroxyphenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzenesulfonamide Traditional Name: N-[2-[[2-(4-hydroxyphenyl)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzenesulfonamide Formula: C21H16N2O4S3 MolecularWeight: 456.55774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H16N2O4S3/c24-16-9-6-14(7-10-16)19(25)13-28-21-22-18-11-8-15(12-20(18)29-21)23-30(26,27)17-4-2-1-3-5-17/h1-12,23-24H,13H2