1-methyl-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CN(C(=C4)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CN(C(=C4)C(=O)O)C

InChI

InChI=1S/C20H17N3O4S2/c1-12-3-8-16-18(9-12)28-19(21-16)13-4-6-14(7-5-13)22-29(26,27)15-10-17(20(24)25)23(2)11-15/h3-11,22H,1-2H3,(H,24,25)