ethanedioic acid; methyl 3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)indole-1-carboxylate

Systemtic Name: ethanedioic acid; methyl 3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)indole-1-carboxylate Openeye Name: methyl 3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)indole-1-carboxylate; oxalic acid CAS Name: 3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)-1-indolecarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)indole-1-carboxylate; oxalic acid Traditional Name: 3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)indole-1-carboxylic acid methyl ester; oxalic acid Formula: C18H25N3O8S MolecularWeight: 443.4714

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC2=C(C=C1)N(C=C2CCN(C)C)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)N(C=C2CCN(C)C)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3O4S.C2H2O4/c1-17-24(21,22)11-12-5-6-15-14(9-12)13(7-8-18(2)3)10-19(15)16(20)23-4;3-1(4)2(5)6/h5-6,9-10,17H,7-8,11H2,1-4H3;(H,3,4)(H,5,6)