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

Systemtic Name: ethanedioic acid; 2-[5-methoxy-2-methyl-1-(phenylsulfonyl)indol-3-yl]-N,N-dimethyl-ethanamine Openeye Name: 2-[1-(benzenesulfonyl)-5-methoxy-2-methyl-indol-3-yl]-N,N-dimethyl-ethanamine; oxalic acid CAS Name: 2-[1-(benzenesulfonyl)-5-methoxy-2-methyl-3-indolyl]-N,N-dimethylethanamine; oxalic acid IUPAC Name: 2-[1-(benzenesulfonyl)-5-methoxy-2-methylindol-3-yl]-N,N-dimethylethanamine; oxalic acid Traditional Name: 2-(1-besyl-5-methoxy-2-methyl-indol-3-yl)ethyl-dimethyl-amine; oxalic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)OC)CCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)OC)CCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O3S.C2H2O4/c1-15-18(12-13-21(2)3)19-14-16(25-4)10-11-20(19)22(15)26(23,24)17-8-6-5-7-9-17;3-1(4)2(5)6/h5-11,14H,12-13H2,1-4H3;(H,3,4)(H,5,6)