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

Systemtic Name: methyl 2-[6-bromanyl-2-[4-(dibutylsulfamoyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[4-(dibutylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[[4-(dibutylsulfamoyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[4-(dibutylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[4-(dibutylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H30BrN3O5S2 MolecularWeight: 596.5568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

InChI

InChI=1S/C25H30BrN3O5S2/c1-4-6-14-28(15-7-5-2)36(32,33)20-11-8-18(9-12-20)24(31)27-25-29(17-23(30)34-3)21-13-10-19(26)16-22(21)35-25/h8-13,16H,4-7,14-15,17H2,1-3H3