1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-3-tosyl-propan-1-one Formula: C23H27N3O3S2 MolecularWeight: 457.60878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C(=C4)C)C

InChI

InChI=1S/C23H27N3O3S2/c1-16-4-6-19(7-5-16)31(28,29)13-8-22(27)25-9-11-26(12-10-25)23-24-20-14-17(2)18(3)15-21(20)30-23/h4-7,14-15H,8-13H2,1-3H3