methyl 2-[6-bromanyl-2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[1-(4-chlorophenyl)sulfonylprolyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H19BrClN3O5S2 MolecularWeight: 572.87966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19BrClN3O5S2/c1-31-19(27)12-25-16-9-4-13(22)11-18(16)32-21(25)24-20(28)17-3-2-10-26(17)33(29,30)15-7-5-14(23)6-8-15/h4-9,11,17H,2-3,10,12H2,1H3