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

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfonyl-butan-1-one Openeye Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(p-tolylsulfonyl)butan-1-one CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(4-methylphenyl)sulfonyl-1-butanone IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfonylbutan-1-one Traditional Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]-4-tosyl-butan-1-one Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S2/c1-17-5-8-19(9-6-17)31(28,29)15-3-4-22(27)25-11-13-26(14-12-25)23-24-20-10-7-18(2)16-21(20)30-23/h5-10,16H,3-4,11-15H2,1-2H3