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

Systemtic Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(2-ethyl-1-piperidyl)sulfonyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(2-ethyl-1-piperidinyl)sulfonyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(2-ethylpiperidino)sulfonyl-1H-pyrrole-2-carboxylic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C12H18N2O4S/c1-2-9-5-3-4-6-14(9)19(17,18)10-7-11(12(15)16)13-8-10/h7-9,13H,2-6H2,1H3,(H,15,16)