5-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 5-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 5-[[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]methyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 5-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]-1-methylpyrrole-2-carboxylic acid Traditional Name: 5-[[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]methyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)O)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=CC=C1C(=O)O)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN3O5S/c1-22-14(7-10-17(22)19(25)26)12-23(16-4-2-3-11-21-18(16)24)29(27,28)15-8-5-13(20)6-9-15/h5-10,16H,2-4,11-12H2,1H3,(H,21,24)(H,25,26)