4-(azepan-1-ylsulfonyl)-1-propan-2-yl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(azepan-1-ylsulfonyl)-1-propan-2-yl-pyrrole-2-carboxylic acid Openeye Name: 4-(azepan-1-ylsulfonyl)-1-isopropyl-pyrrole-2-carboxylic acid CAS Name: 4-(1-azepanylsulfonyl)-1-propan-2-yl-2-pyrrolecarboxylic acid IUPAC Name: 4-(azepan-1-ylsulfonyl)-1-propan-2-ylpyrrole-2-carboxylic acid Traditional Name: 4-(azepan-1-ylsulfonyl)-1-isopropyl-pyrrole-2-carboxylic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H22N2O4S/c1-11(2)16-10-12(9-13(16)14(17)18)21(19,20)15-7-5-3-4-6-8-15/h9-11H,3-8H2,1-2H3,(H,17,18)