1-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]-2-(3-methylindol-1-yl)ethanesulfonic acid

Systemtic Name: 1-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]-2-(3-methylindol-1-yl)ethanesulfonic acid Openeye Name: 1-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]-2-(3-methylindol-1-yl)ethanesulfonic acid CAS Name: 1-[3-(2-methoxyphenoxy)-1-pyrrolidinyl]-2-(3-methyl-1-indolyl)ethanesulfonic acid IUPAC Name: 1-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]-2-(3-methylindol-1-yl)ethanesulfonic acid Traditional Name: 1-[3-(2-methoxyphenoxy)pyrrolidino]-2-(3-methylindol-1-yl)ethanesulfonic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CC=C12)CC(N3CCC(C3)OC4=CC=CC=C4OC)S(=O)(=O)O

Isomeric SMILES

CC1=CN(C2=CC=CC=C12)CC(N3CCC(C3)OC4=CC=CC=C4OC)S(=O)(=O)O

InChI

InChI=1S/C22H26N2O5S/c1-16-13-24(19-8-4-3-7-18(16)19)15-22(30(25,26)27)23-12-11-17(14-23)29-21-10-6-5-9-20(21)28-2/h3-10,13,17,22H,11-12,14-15H2,1-2H3,(H,25,26,27)