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

Systemtic Name: 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O7S2/c1-4-30-18-8-7-17(13-20(18)32(28,29)23-9-5-6-10-23)22-31(26,27)19-12-16(21(24)25)11-14(2)15(19)3/h7-8,11-13,22H,4-6,9-10H2,1-3H3,(H,24,25)