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

Systemtic Name: ethyl 2-[6-bromanyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[1-(4-fluorophenyl)sulfonylisonipecotoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H23BrFN3O5S2 MolecularWeight: 584.478223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23BrFN3O5S2/c1-2-33-21(29)14-28-19-8-3-16(24)13-20(19)34-23(28)26-22(30)15-9-11-27(12-10-15)35(31,32)18-6-4-17(25)5-7-18/h3-8,13,15H,2,9-12,14H2,1H3