[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-sulfamoylthiophene-3-carboxylate

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-sulfamoylthiophene-3-carboxylate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-sulfamoylthiophene-3-carboxylate CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate Traditional Name: 5-sulfamoylthiophene-3-carboxylic acid [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C14H20N2O5S2 MolecularWeight: 360.449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CSC(=C2)S(=O)(=O)N

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)OC(=O)C2=CSC(=C2)S(=O)(=O)N

InChI

InChI=1S/C14H20N2O5S2/c1-10(13(17)16-6-4-2-3-5-7-16)21-14(18)11-8-12(22-9-11)23(15,19)20/h8-10H,2-7H2,1H3,(H2,15,19,20)/t10-/m0/s1