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

Systemtic Name: methyl 3-[2-[4-(dipropylsulfamoyl)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H30N4O7S3 MolecularWeight: 582.7126

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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)OC

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)OC

InChI

InChI=1S/C24H30N4O7S3/c1-4-13-27(14-5-2)38(33,34)18-8-6-17(7-9-18)23(30)26-24-28(15-12-22(29)35-3)20-11-10-19(37(25,31)32)16-21(20)36-24/h6-11,16H,4-5,12-15H2,1-3H3,(H2,25,31,32)