8-nitro-2-[4-(phenylmethyl)piperazin-1-yl]-6-(trifluoromethyl)-1,3-benzothiazin-4-one

Systemtic Name: 8-nitro-2-[4-(phenylmethyl)piperazin-1-yl]-6-(trifluoromethyl)-1,3-benzothiazin-4-one Openeye Name: 2-(4-benzylpiperazin-1-yl)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one CAS Name: 8-nitro-2-[4-(phenylmethyl)-1-piperazinyl]-6-(trifluoromethyl)-1,3-benzothiazin-4-one IUPAC Name: 2-(4-benzylpiperazin-1-yl)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one Traditional Name: 2-(4-benzylpiperazino)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one Formula: C20H17F3N4O3S MolecularWeight: 450.43419

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C4=CC(=CC(=C4S3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C4=CC(=CC(=C4S3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H17F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2