2-[1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole Openeye Name: 2-[1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole CAS Name: 2-[1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]ethyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethyl]-1,3-benzothiazole Formula: C20H22N4O4S2 MolecularWeight: 446.54308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S2/c1-14(20-21-16-5-3-4-6-19(16)29-20)22-9-11-23(12-10-22)17-8-7-15(30(2,27)28)13-18(17)24(25)26/h3-8,13-14H,9-12H2,1-2H3