(E)-but-2-enedioic acid; N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]methanesulfonamide

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]methanesulfonamide Openeye Name: fumaric acid; N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]methanesulfonamide CAS Name: (E)-2-butenedioic acid; N-methyl-1-[3-[(1-methyl-2-pyrrolidinyl)methyl]-1H-indol-5-yl]methanesulfonamide IUPAC Name: (E)-but-2-enedioic acid; N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]methanesulfonamide Traditional Name: fumaric acid; N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]methanesulfonamide Formula: C20H27N3O6S MolecularWeight: 437.50988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CC3CCCN3C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CC3CCCN3C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H23N3O2S.C4H4O4/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2;5-3(6)1-2-4(7)8/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+