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

Systemtic Name: N-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]methanesulfonamide Openeye Name: N-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]methanesulfonamide CAS Name: N-[2-[[(4-chlorophenyl)-phenylmethyl]thio]-1,3-benzothiazol-6-yl]methanesulfonamide IUPAC Name: N-[2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,3-benzothiazol-6-yl]methanesulfonamide Traditional Name: N-[2-[[(4-chlorophenyl)-phenyl-methyl]thio]-1,3-benzothiazol-6-yl]methanesulfonamide Formula: C21H17ClN2O2S3 MolecularWeight: 461.01988

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O2S3/c1-29(25,26)24-17-11-12-18-19(13-17)27-21(23-18)28-20(14-5-3-2-4-6-14)15-7-9-16(22)10-8-15/h2-13,20,24H,1H3