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

Systemtic Name: methyl 4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate Openeye Name: methyl 4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate CAS Name: 4-[[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate Traditional Name: 4-[(2-pyrrolidino-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid methyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

InChI

InChI=1S/C19H19N3O4S2/c1-26-18(23)13-4-7-15(8-5-13)28(24,25)21-14-6-9-16-17(12-14)27-19(20-16)22-10-2-3-11-22/h4-9,12,21H,2-3,10-11H2,1H3