methyl 2-[2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-(4-chlorophenyl)sulfonylprolyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21ClN4O7S3 MolecularWeight: 573.06204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O7S3/c1-33-19(27)12-25-16-9-8-15(35(23,29)30)11-18(16)34-21(25)24-20(28)17-3-2-10-26(17)36(31,32)14-6-4-13(22)5-7-14/h4-9,11,17H,2-3,10,12H2,1H3,(H2,23,29,30)