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

Systemtic Name: methyl 3-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(p-tolylsulfonylamino)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-[(4-methylphenyl)sulfonylamino]benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-sulfamoyl-2-[2-(tosylamino)benzoyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C25H24N4O7S3 MolecularWeight: 588.67566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CCC(=O)OC

InChI

InChI=1S/C25H24N4O7S3/c1-16-7-9-17(10-8-16)39(34,35)28-20-6-4-3-5-19(20)24(31)27-25-29(14-13-23(30)36-2)21-12-11-18(38(26,32)33)15-22(21)37-25/h3-12,15,28H,13-14H2,1-2H3,(H2,26,32,33)