methyl 3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C18H21N3O6S3 MolecularWeight: 471.57084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C18H21N3O6S3/c1-27-18(22)17-15(10-12-28-17)30(25,26)20-13-6-8-14(9-7-13)29(23,24)21-16-5-3-2-4-11-19-16/h6-10,12,20H,2-5,11H2,1H3,(H,19,21)