N,N-dimethyl-2-[5-phenylmethoxy-1-(phenylsulfonyl)indol-3-yl]ethanamine; ethanedioic acid

Systemtic Name: N,N-dimethyl-2-[5-phenylmethoxy-1-(phenylsulfonyl)indol-3-yl]ethanamine; ethanedioic acid Openeye Name: 2-[1-(benzenesulfonyl)-5-benzyloxy-indol-3-yl]-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-[1-(benzenesulfonyl)-5-phenylmethoxy-3-indolyl]-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-[1-(benzenesulfonyl)-5-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-(5-benzoxy-1-besyl-indol-3-yl)ethyl-dimethyl-amine; oxalic acid Formula: C27H28N2O7S MolecularWeight: 524.58542

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CN(C2=C1C=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1=CN(C2=C1C=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H26N2O3S.C2H2O4/c1-26(2)16-15-21-18-27(31(28,29)23-11-7-4-8-12-23)25-14-13-22(17-24(21)25)30-19-20-9-5-3-6-10-20;3-1(4)2(5)6/h3-14,17-18H,15-16,19H2,1-2H3;(H,3,4)(H,5,6)