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

Systemtic Name: (E)-but-2-enedioic acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide Openeye Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide IUPAC Name: (E)-but-2-enedioic acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide Traditional Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide; fumaric acid Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H21N3O2S.C4H4O4/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;5-3(6)1-2-4(7)8/h4-5,8-9,15-16H,6-7,10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+