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

Systemtic Name: methyl 3-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-indolin-1-ylsulfonylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-indolin-1-ylsulfonylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C26H24N4O7S3 MolecularWeight: 600.68636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C26H24N4O7S3/c1-37-24(31)13-14-29-22-11-10-20(39(27,33)34)16-23(22)38-26(29)28-25(32)18-6-8-19(9-7-18)40(35,36)30-15-12-17-4-2-3-5-21(17)30/h2-11,16H,12-15H2,1H3,(H2,27,33,34)