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

Systemtic Name: methyl 2-[6-ethoxy-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[1-(4-fluorophenyl)sulfonylisonipecotoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H26FN3O6S2 MolecularWeight: 535.608143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)S2)CC(=O)OC

InChI

InChI=1S/C24H26FN3O6S2/c1-3-34-18-6-9-20-21(14-18)35-24(28(20)15-22(29)33-2)26-23(30)16-10-12-27(13-11-16)36(31,32)19-7-4-17(25)5-8-19/h4-9,14,16H,3,10-13,15H2,1-2H3