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

Systemtic Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C23H25FN4O6S2 MolecularWeight: 536.596203

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O6S2/c1-2-34-14-13-27-20-15-18(28(30)31)5-8-21(20)35-23(27)25-22(29)16-9-11-26(12-10-16)36(32,33)19-6-3-17(24)4-7-19/h3-8,15-16H,2,9-14H2,1H3