1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one Openeye Name: 3-benzylsulfonyl-1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylmethyl)sulfonyl-1-propanone IUPAC Name: 3-benzylsulfonyl-1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-benzylsulfonyl-1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C23H27N3O4S2 MolecularWeight: 473.60818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S2/c1-17-8-9-19(30-2)21-22(17)31-23(24-21)26-13-11-25(12-14-26)20(27)10-15-32(28,29)16-18-6-4-3-5-7-18/h3-9H,10-16H2,1-2H3