1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O5S2/c25-19(8-13-31(28,29)16-4-2-1-3-5-16)22-9-11-23(12-10-22)20-21-17-7-6-15(24(26)27)14-18(17)30-20/h1-7,14H,8-13H2