(E)-but-2-enedioic acid; 1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide Openeye Name: fumaric acid; 1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide CAS Name: (E)-2-butenedioic acid; 1-methyl-N-[3-(4-methyl-1-piperazinyl)propyl]-4-imidazolesulfonamide IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide Traditional Name: fumaric acid; 1-methyl-N-[3-(4-methylpiperazino)propyl]imidazole-4-sulfonamide Formula: C16H27N5O6S MolecularWeight: 417.48048

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNS(=O)(=O)C2=CN(C=N2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCNS(=O)(=O)C2=CN(C=N2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H23N5O2S.C4H4O4/c1-15-6-8-17(9-7-15)5-3-4-14-20(18,19)12-10-16(2)11-13-12;5-3(6)1-2-4(7)8/h10-11,14H,3-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+