2-chloranyl-5-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 2-chloro-5-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid CAS Name: 2-chloro-5-[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-chloro-5-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 2-chloro-5-[(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C19H21ClN2O7S2 MolecularWeight: 488.96224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H21ClN2O7S2/c1-2-29-17-8-5-13(11-18(17)31(27,28)22-9-3-4-10-22)21-30(25,26)14-6-7-16(20)15(12-14)19(23)24/h5-8,11-12,21H,2-4,9-10H2,1H3,(H,23,24)