N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-(3,4-dimethoxyphenyl)benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-(3,4-dimethoxyphenyl)benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-4-(3,4-dimethoxyphenyl)benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-thiophenyl]-4-(3,4-dimethoxyphenyl)benzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-(3,4-dimethoxyphenyl)benzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-4-(3,4-dimethoxyphenyl)benzenesulfonamide Formula: C25H20N2O4S3 MolecularWeight: 508.6323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CS3)C4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CS3)C4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C25H20N2O4S3/c1-30-21-12-9-17(15-22(21)31-2)16-7-10-18(11-8-16)34(28,29)27-25-19(13-14-32-25)24-26-20-5-3-4-6-23(20)33-24/h3-15,27H,1-2H3