methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C18H22N2O7S3 MolecularWeight: 474.57148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7S3/c1-3-27-14-7-6-13(12-16(14)30(24,25)20-9-4-5-10-20)19-29(22,23)15-8-11-28-17(15)18(21)26-2/h6-8,11-12,19H,3-5,9-10H2,1-2H3