methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoate

Systemtic Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoate Openeye Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoate CAS Name: 3-[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)sulfamoyl]benzoic acid methyl ester Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O7S2/c1-3-29-18-10-9-16(14-19(18)31(26,27)22-11-4-5-12-22)21-30(24,25)17-8-6-7-15(13-17)20(23)28-2/h6-10,13-14,21H,3-5,11-12H2,1-2H3