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

Systemtic Name: methyl 2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-pyrrolidinosulfonylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N4O7S3 MolecularWeight: 538.61698

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

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O7S3/c1-32-19(26)13-25-17-9-8-16(34(22,28)29)12-18(17)33-21(25)23-20(27)14-4-6-15(7-5-14)35(30,31)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H2,22,28,29)