N-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]benzenesulfonamide

Systemtic Name: N-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]benzenesulfonamide Openeye Name: N-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]benzenesulfonamide CAS Name: N-[2-[[(4-chlorophenyl)-phenylmethyl]thio]-1,3-benzothiazol-6-yl]benzenesulfonamide IUPAC Name: N-[2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,3-benzothiazol-6-yl]benzenesulfonamide Traditional Name: N-[2-[[(4-chlorophenyl)-phenyl-methyl]thio]-1,3-benzothiazol-6-yl]benzenesulfonamide Formula: C26H19ClN2O2S3 MolecularWeight: 523.08926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)SC3=NC4=C(S3)C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)SC3=NC4=C(S3)C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H19ClN2O2S3/c27-20-13-11-19(12-14-20)25(18-7-3-1-4-8-18)33-26-28-23-16-15-21(17-24(23)32-26)29-34(30,31)22-9-5-2-6-10-22/h1-17,25,29H