1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-3-besyl-propan-1-one Formula: C20H21N3O3S2 MolecularWeight: 415.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c24-19(10-15-28(25,26)16-6-2-1-3-7-16)22-11-13-23(14-12-22)20-21-17-8-4-5-9-18(17)27-20/h1-9H,10-15H2