ethanedioic acid; [1-methylsulfonyl-6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]indol-2-yl]methanamine

Systemtic Name: ethanedioic acid; [1-methylsulfonyl-6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]indol-2-yl]methanamine Openeye Name: [1-methylsulfonyl-6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]indol-2-yl]methanamine; oxalic acid CAS Name: [1-methylsulfonyl-6-[5-[(2-phenoxyethylthio)methyl]-1,3,4-oxadiazol-2-yl]-2-indolyl]methanamine; oxalic acid IUPAC Name: [1-methylsulfonyl-6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]indol-2-yl]methanamine; oxalic acid Traditional Name: [1-mesyl-6-[5-[(2-phenoxyethylthio)methyl]-1,3,4-oxadiazol-2-yl]indol-2-yl]methylamine; oxalic acid Formula: C23H24N4O8S2 MolecularWeight: 548.58866

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=CC2=C1C=C(C=C2)C3=NN=C(O3)CSCCOC4=CC=CC=C4)CN.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)N1C(=CC2=C1C=C(C=C2)C3=NN=C(O3)CSCCOC4=CC=CC=C4)CN.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H22N4O4S2.C2H2O4/c1-31(26,27)25-17(13-22)11-15-7-8-16(12-19(15)25)21-24-23-20(29-21)14-30-10-9-28-18-5-3-2-4-6-18;3-1(4)2(5)6/h2-8,11-12H,9-10,13-14,22H2,1H3;(H,3,4)(H,5,6)