3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-chloranylphenoxy)phenyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-chloranylphenoxy)phenyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-chlorophenoxy)phenyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[4-(4-chlorophenoxy)phenyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-chlorophenoxy)phenyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[4-(4-chlorophenoxy)phenyl]propane-1-sulfonamide Formula: C22H19ClN2O3S3 MolecularWeight: 491.04586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN2O3S3/c23-16-6-10-18(11-7-16)28-19-12-8-17(9-13-19)25-31(26,27)15-3-14-29-22-24-20-4-1-2-5-21(20)30-22/h1-2,4-13,25H,3,14-15H2