4-(4-ethanoylpiperazin-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(4-acetylpiperazino)sulfonyl-1-methyl-pyrrole-2-carboxylic acid Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C

InChI

InChI=1S/C12H17N3O5S/c1-9(16)14-3-5-15(6-4-14)21(19,20)10-7-11(12(17)18)13(2)8-10/h7-8H,3-6H2,1-2H3,(H,17,18)