ethanedioic acid; 2-(5-methoxy-1-thiophen-2-ylsulfonyl-indol-3-yl)-N,N-dimethyl-ethanamine

Systemtic Name: ethanedioic acid; 2-(5-methoxy-1-thiophen-2-ylsulfonyl-indol-3-yl)-N,N-dimethyl-ethanamine Openeye Name: 2-[5-methoxy-1-(2-thienylsulfonyl)indol-3-yl]-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-(5-methoxy-1-thiophen-2-ylsulfonyl-3-indolyl)-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-(5-methoxy-1-thiophen-2-ylsulfonylindol-3-yl)-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-[5-methoxy-1-(2-thienylsulfonyl)indol-3-yl]ethyl-dimethyl-amine; oxalic acid Formula: C19H22N2O7S2 MolecularWeight: 454.51718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N2O3S2.C2H2O4/c1-18(2)9-8-13-12-19(24(20,21)17-5-4-10-23-17)16-7-6-14(22-3)11-15(13)16;3-1(4)2(5)6/h4-7,10-12H,8-9H2,1-3H3;(H,3,4)(H,5,6)