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

Systemtic Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one Openeye Name: 3-benzylsulfonyl-1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylmethyl)sulfonyl-1-propanone IUPAC Name: 3-benzylsulfonyl-1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-benzylsulfonyl-1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C23H27N3O3S2 MolecularWeight: 457.60878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4)C

InChI

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