4-(azetidin-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(azetidin-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(azetidin-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-(1-azetidinylsulfonyl)-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(azetidin-1-ylsulfonyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(azetidin-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C9H12N2O4S MolecularWeight: 244.26758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCC2

Isomeric SMILES

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCC2

InChI

InChI=1S/C9H12N2O4S/c1-10-6-7(5-8(10)9(12)13)16(14,15)11-3-2-4-11/h5-6H,2-4H2,1H3,(H,12,13)