ethanedioic acid; 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1-(phenylsulfonyl)indole

Systemtic Name: ethanedioic acid; 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole; oxalic acid CAS Name: 1-(benzenesulfonyl)-3-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]indole; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole; oxalic acid Traditional Name: 1-besyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole; oxalic acid Formula: C22H24N2O6S MolecularWeight: 444.50076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC[C@H]1CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2O2S.C2H2O4/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18;3-1(4)2(5)6/h2-6,9-12,15,17H,7-8,13-14H2,1H3;(H,3,4)(H,5,6)/t17-;/m0./s1