1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(p-tolylsulfonyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-methylphenyl)sulfonylethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-2-tosyl-ethanone Formula: C20H21N3O3S2 MolecularWeight: 415.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S2/c1-15-6-8-16(9-7-15)28(25,26)14-19(24)22-10-12-23(13-11-22)20-21-17-4-2-3-5-18(17)27-20/h2-9H,10-14H2,1H3