methyl 5-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 5-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 5-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylate CAS Name: 5-(1-azepanylsulfonyl)-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-(azepan-1-ylsulfonyl)-1-methylpyrrole-2-carboxylate Traditional Name: 5-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1S(=O)(=O)N2CCCCCC2)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1S(=O)(=O)N2CCCCCC2)C(=O)OC

InChI

InChI=1S/C13H20N2O4S/c1-14-11(13(16)19-2)7-8-12(14)20(17,18)15-9-5-3-4-6-10-15/h7-8H,3-6,9-10H2,1-2H3