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

Systemtic Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylsulfonyl)butan-1-one Openeye Name: 4-(benzenesulfonyl)-1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(benzenesulfonyl)-1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(benzenesulfonyl)-1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-besyl-1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S2/c1-17-15-20-21(16-18(17)2)30-23(24-20)26-12-10-25(11-13-26)22(27)9-6-14-31(28,29)19-7-4-3-5-8-19/h3-5,7-8,15-16H,6,9-14H2,1-2H3