4-chloranyl-3-(2-pyrrol-1-ylethyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(2-pyrrol-1-ylethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-3-(2-pyrrol-1-ylethyl)-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-3-[2-(1-pyrrolyl)ethyl]-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-3-(2-pyrrol-1-ylethyl)-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-3-(2-pyrrol-1-ylethyl)-5-sulfamoyl-benzoic acid Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)CCC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CN(C=C1)CCC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H13ClN2O4S/c14-12-9(3-6-16-4-1-2-5-16)7-10(13(17)18)8-11(12)21(15,19)20/h1-2,4-5,7-8H,3,6H2,(H,17,18)(H2,15,19,20)