ethanedioic acid; 1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(1-methyl-2-pyrrolyl)methyl]-4-methylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonylpiperazine; oxalic acid Traditional Name: 1-mesyl-4-[(1-methylpyrrol-2-yl)methyl]piperazine; oxalic acid Formula: C13H21N3O6S MolecularWeight: 347.38734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=CC=C1CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H19N3O2S.C2H2O4/c1-12-5-3-4-11(12)10-13-6-8-14(9-7-13)17(2,15)16;3-1(4)2(5)6/h3-5H,6-10H2,1-2H3;(H,3,4)(H,5,6)