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

Systemtic Name: methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[4-(1-azepanylsulfonyl)phenyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C18H22N2O6S3 MolecularWeight: 458.57208

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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)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N2O6S3/c1-26-18(21)17-16(10-13-27-17)28(22,23)19-14-6-8-15(9-7-14)29(24,25)20-11-4-2-3-5-12-20/h6-10,13,19H,2-5,11-12H2,1H3