N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H21FN4O5S2 MolecularWeight: 492.543643

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O5S2/c1-2-25-18-13-16(26(28)29)5-8-19(18)32-21(25)23-20(27)14-9-11-24(12-10-14)33(30,31)17-6-3-15(22)4-7-17/h3-8,13-14H,2,9-12H2,1H3