ethyl 4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-1-methyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-[[2-(azepan-1-yl)-2-oxo-ethyl]-methyl-sulfamoyl]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]-methylsulfamoyl]-1-methyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(azepan-1-yl)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]-methyl-sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C17H27N3O5S MolecularWeight: 385.47838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N(C)CC(=O)N2CCCCCC2

Isomeric SMILES

CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N(C)CC(=O)N2CCCCCC2

InChI

InChI=1S/C17H27N3O5S/c1-4-25-17(22)15-11-14(12-18(15)2)26(23,24)19(3)13-16(21)20-9-7-5-6-8-10-20/h11-12H,4-10,13H2,1-3H3