1-methyl-4-[(2-oxidanylideneazepan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-[(2-oxidanylideneazepan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-[(2-oxoazepan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[(2-oxo-3-azepanyl)sulfamoyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-[(2-oxoazepan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid Traditional Name: 4-[(2-ketoazepan-3-yl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)S(=O)(=O)NC2CCCCNC2=O

Isomeric SMILES

CN1C=C(C=C1C(=O)O)S(=O)(=O)NC2CCCCNC2=O

InChI

InChI=1S/C12H17N3O5S/c1-15-7-8(6-10(15)12(17)18)21(19,20)14-9-4-2-3-5-13-11(9)16/h6-7,9,14H,2-5H2,1H3,(H,13,16)(H,17,18)