(E)-but-2-enedioic acid; 1-[1-(3-methoxyphenyl)sulfonyl-2-phenyl-imidazol-4-yl]-N-methyl-methanamine

Systemtic Name: (E)-but-2-enedioic acid; 1-[1-(3-methoxyphenyl)sulfonyl-2-phenyl-imidazol-4-yl]-N-methyl-methanamine Openeye Name: fumaric acid; 1-[1-(3-methoxyphenyl)sulfonyl-2-phenyl-imidazol-4-yl]-N-methyl-methanamine CAS Name: (E)-2-butenedioic acid; 1-[1-(3-methoxyphenyl)sulfonyl-2-phenyl-4-imidazolyl]-N-methylmethanamine IUPAC Name: (E)-but-2-enedioic acid; 1-[1-(3-methoxyphenyl)sulfonyl-2-phenylimidazol-4-yl]-N-methylmethanamine Traditional Name: fumaric acid; [1-(3-methoxyphenyl)sulfonyl-2-phenyl-imidazol-4-yl]methyl-methyl-amine Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CN(C(=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCC1=CN(C(=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19N3O3S.C4H4O4/c1-19-12-15-13-21(18(20-15)14-7-4-3-5-8-14)25(22,23)17-10-6-9-16(11-17)24-2;5-3(6)1-2-4(7)8/h3-11,13,19H,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+