ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-(4-fluorophenyl)sulfonylisonipecotoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H23FN4O7S2 MolecularWeight: 550.579723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O7S2/c1-2-35-21(29)14-27-19-8-5-17(28(31)32)13-20(19)36-23(27)25-22(30)15-9-11-26(12-10-15)37(33,34)18-6-3-16(24)4-7-18/h3-8,13,15H,2,9-12,14H2,1H3