1,3-benzothiazol-2-ylmethyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15FN2O4S2 MolecularWeight: 394.440403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)OCC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN2O4S2/c1-20(26(22,23)13-8-6-12(18)7-9-13)10-17(21)24-11-16-19-14-4-2-3-5-15(14)25-16/h2-9H,10-11H2,1H3