N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,5-dimethoxy-benzenesulfonamide Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C22H20N2O4S2/c1-14-12-15(22-23-18-6-4-5-7-20(18)29-22)8-10-17(14)24-30(25,26)21-13-16(27-2)9-11-19(21)28-3/h4-13,24H,1-3H3