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

Systemtic Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfonyl-butan-1-one Openeye Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(p-tolylsulfonyl)butan-1-one CAS Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(4-methylphenyl)sulfonyl-1-butanone IUPAC Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfonylbutan-1-one Traditional Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-4-tosyl-butan-1-one Formula: C24H29N3O3S2 MolecularWeight: 471.63536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S2/c1-17-6-8-20(9-7-17)32(29,30)14-4-5-23(28)26-10-12-27(13-11-26)24-25-21-15-18(2)19(3)16-22(21)31-24/h6-9,15-16H,4-5,10-14H2,1-3H3