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

Systemtic Name: ethyl 3-[2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H26N4O7S3 MolecularWeight: 566.67014

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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=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=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/C23H26N4O7S3/c1-2-34-21(28)11-14-27-19-10-9-18(36(24,30)31)15-20(19)35-23(27)25-22(29)16-5-7-17(8-6-16)37(32,33)26-12-3-4-13-26/h5-10,15H,2-4,11-14H2,1H3,(H2,24,30,31)