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

Systemtic Name: methyl 3-[2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-pyrrolidinosulfonylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H24N4O7S3 MolecularWeight: 552.64356

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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)N4CCCC4

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)N4CCCC4

InChI

InChI=1S/C22H24N4O7S3/c1-33-20(27)10-13-26-18-9-8-17(35(23,29)30)14-19(18)34-22(26)24-21(28)15-4-6-16(7-5-15)36(31,32)25-11-2-3-12-25/h4-9,14H,2-3,10-13H2,1H3,(H2,23,29,30)