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

Systemtic Name: ethyl 2-[6-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethyl-2-[1-(4-fluorophenyl)sulfonylisonipecotoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H28FN3O5S2 MolecularWeight: 533.635323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)S2)CC(=O)OCC

InChI

InChI=1S/C25H28FN3O5S2/c1-3-17-5-10-21-22(15-17)35-25(29(21)16-23(30)34-4-2)27-24(31)18-11-13-28(14-12-18)36(32,33)20-8-6-19(26)7-9-20/h5-10,15,18H,3-4,11-14,16H2,1-2H3