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

Systemtic Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfonyl-butan-1-one Openeye Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfonyl-butan-1-one CAS Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(4-methoxyphenyl)sulfonyl-1-butanone IUPAC Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfonylbutan-1-one Traditional Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]-4-(4-methoxyphenyl)sulfonyl-butan-1-one Formula: C24H29N3O4S2 MolecularWeight: 487.63476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C24H29N3O4S2/c1-17-6-11-21-23(18(17)2)25-24(32-21)27-14-12-26(13-15-27)22(28)5-4-16-33(29,30)20-9-7-19(31-3)8-10-20/h6-11H,4-5,12-16H2,1-3H3