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

Systemtic Name: ethanedioic acid; 2-[5-methoxy-1-(phenylsulfonyl)indol-3-yl]-N,N-dimethyl-ethanamine Openeye Name: 2-[1-(benzenesulfonyl)-5-methoxy-indol-3-yl]-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-[1-(benzenesulfonyl)-5-methoxy-3-indolyl]-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-(1-besyl-5-methoxy-indol-3-yl)ethyl-dimethyl-amine; oxalic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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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=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S.C2H2O4/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17;3-1(4)2(5)6/h4-10,13-14H,11-12H2,1-3H3;(H,3,4)(H,5,6)