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

Systemtic Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-16-14-19-20(15-17(16)2)29-22(23-19)25-11-9-24(10-12-25)21(26)8-13-30(27,28)18-6-4-3-5-7-18/h3-7,14-15H,8-13H2,1-2H3