1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonyl-pyrrole-2-carboxylic acid Openeye Name: 1-ethyl-4-[(2-ethyl-1-piperidyl)sulfonyl]pyrrole-2-carboxylic acid CAS Name: 1-ethyl-4-[(2-ethyl-1-piperidinyl)sulfonyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid Traditional Name: 1-ethyl-4-(2-ethylpiperidino)sulfonyl-pyrrole-2-carboxylic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CN(C(=C2)C(=O)O)CC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CN(C(=C2)C(=O)O)CC

InChI

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