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

Systemtic Name: methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H21FN4O7S2 MolecularWeight: 536.553143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C22H21FN4O7S2/c1-34-20(28)13-26-18-7-4-16(27(30)31)12-19(18)35-22(26)24-21(29)14-8-10-25(11-9-14)36(32,33)17-5-2-15(23)3-6-17/h2-7,12,14H,8-11,13H2,1H3