2-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole CAS Name: 2-[4-(2-methylsulfonylphenyl)sulfonyl-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 2-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(2-mesylphenyl)sulfonylpiperazino]-1,3-benzothiazole Formula: C18H19N3O4S3 MolecularWeight: 437.55616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H19N3O4S3/c1-27(22,23)16-8-4-5-9-17(16)28(24,25)21-12-10-20(11-13-21)18-19-14-6-2-3-7-15(14)26-18/h2-9H,10-13H2,1H3