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

Systemtic Name: ethyl 3-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H26N4O7S3 MolecularWeight: 602.70224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H26N4O7S3/c1-3-37-24(31)14-15-30-22-13-12-19(39(27,33)34)16-23(22)38-26(30)28-25(32)20-6-4-5-7-21(20)29-40(35,36)18-10-8-17(2)9-11-18/h4-13,16,29H,3,14-15H2,1-2H3,(H2,27,33,34)