N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,4-dimethyl-benzenesulfonamide Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H20N2O2S2/c1-15-7-12-19(13-16(15)2)28(25,26)24-18-10-8-17(9-11-18)14-22-23-20-5-3-4-6-21(20)27-22/h3-13,24H,14H2,1-2H3