4-(4-ethanoylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]-1H-pyrrole-2-carboxylate IUPAC Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-acetylpiperazino)sulfonyl-1H-pyrrole-2-carboxylate Formula: C11H14N3O5S- MolecularWeight: 300.31096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)[O-]

InChI

InChI=1S/C11H15N3O5S/c1-8(15)13-2-4-14(5-3-13)20(18,19)9-6-10(11(16)17)12-7-9/h6-7,12H,2-5H2,1H3,(H,16,17)/p-1