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

Systemtic Name: 1-ethyl-4-(4-ethylpiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic acid Openeye Name: 1-ethyl-4-(4-ethylpiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic acid CAS Name: 1-ethyl-4-[(4-ethyl-1-piperazinyl)sulfonyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylpyrrole-2-carboxylic acid Traditional Name: 1-ethyl-4-(4-ethylpiperazino)sulfonyl-pyrrole-2-carboxylic acid Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)CC

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)CC

InChI

InChI=1S/C13H21N3O4S/c1-3-14-5-7-16(8-6-14)21(19,20)11-9-12(13(17)18)15(4-2)10-11/h9-10H,3-8H2,1-2H3,(H,17,18)