methyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H24FN3O5S2 MolecularWeight: 505.582163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)F

Isomeric SMILES

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)F

InChI

InChI=1S/C23H24FN3O5S2/c1-32-20(28)15-27-21-18(24)7-6-8-19(21)33-23(27)25-22(29)16-9-11-17(12-10-16)34(30,31)26-13-4-2-3-5-14-26/h6-12H,2-5,13-15H2,1H3