1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone Openeye Name: 2-benzylsulfonyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethyl)sulfonylethanone IUPAC Name: 2-benzylsulfonyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-benzylsulfonyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]ethanone 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)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CS(=O)(=O)CC4=CC=CC=C4

InChI

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