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

Systemtic Name: 1-[3-(2-azanylethyl)-1H-indol-5-yl]-N-ethyl-methanesulfonamide; (E)-but-2-enedioic acid Openeye Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-ethyl-methanesulfonamide; fumaric acid CAS Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-ethylmethanesulfonamide; (E)-2-butenedioic acid IUPAC Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-ethylmethanesulfonamide; (E)-but-2-enedioic acid Traditional Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-ethyl-methanesulfonamide; fumaric acid Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2S.C4H4O4/c1-2-16-19(17,18)9-10-3-4-13-12(7-10)11(5-6-14)8-15-13;5-3(6)1-2-4(7)8/h3-4,7-8,15-16H,2,5-6,9,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+