ethyl 3-[2-[4-(dipropylsulfamoyl)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-[4-(dipropylsulfamoyl)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[4-(dipropylsulfamoyl)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[[4-(dipropylsulfamoyl)phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(dipropylsulfamoyl)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(dipropylsulfamoyl)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C25H32N4O7S3 MolecularWeight: 596.73918

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OCC

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OCC

InChI

InChI=1S/C25H32N4O7S3/c1-4-14-28(15-5-2)39(34,35)19-9-7-18(8-10-19)24(31)27-25-29(16-13-23(30)36-6-3)21-12-11-20(38(26,32)33)17-22(21)37-25/h7-12,17H,4-6,13-16H2,1-3H3,(H2,26,32,33)