5-[[2-(ethylamino)-5-morpholin-4-ylsulfonyl-phenyl]sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[[2-(ethylamino)-5-morpholin-4-ylsulfonyl-phenyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[2-(ethylamino)-5-(4-morpholinylsulfonyl)phenyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]-3-thenoic acid Formula: C17H21N3O7S3 MolecularWeight: 475.55954

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C17H21N3O7S3/c1-2-18-14-4-3-13(30(25,26)20-5-7-27-8-6-20)10-15(14)19-29(23,24)16-9-12(11-28-16)17(21)22/h3-4,9-11,18-19H,2,5-8H2,1H3,(H,21,22)