(E)-2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]ethenesulfonamide; ethanedioic acid

Systemtic Name: (E)-2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]ethenesulfonamide; ethanedioic acid Openeye Name: (E)-2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]ethenesulfonamide; oxalic acid CAS Name: (E)-2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]ethenesulfonamide; oxalic acid IUPAC Name: (E)-2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]ethenesulfonamide; oxalic acid Traditional Name: (E)-2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]ethenesulfonamide; oxalic acid Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=C1C=C(C=C2)C=CS(=O)(=O)N.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)/C=C/S(=O)(=O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3O2S.C2H2O4/c1-17(2)7-5-12-10-16-14-4-3-11(9-13(12)14)6-8-20(15,18)19;3-1(4)2(5)6/h3-4,6,8-10,16H,5,7H2,1-2H3,(H2,15,18,19);(H,3,4)(H,5,6)/b8-6+;