1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone Openeye Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(p-tolylsulfonyl)ethanone CAS Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-methylphenyl)sulfonylethanone IUPAC Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone Traditional Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazino]-2-tosyl-ethanone Formula: C22H25N3O5S2 MolecularWeight: 475.581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4OC)OC

InChI

InChI=1S/C22H25N3O5S2/c1-15-4-6-16(7-5-15)32(27,28)14-19(26)24-10-12-25(13-11-24)22-23-20-18(31-22)9-8-17(29-2)21(20)30-3/h4-9H,10-14H2,1-3H3