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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)C

InChI

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