ethanedioic acid; N-[2-(5-fluoranyl-2-methoxy-phenoxy)ethyl]-1-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propan-2-amine

Systemtic Name: ethanedioic acid; N-[2-(5-fluoranyl-2-methoxy-phenoxy)ethyl]-1-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propan-2-amine Openeye Name: N-[2-(5-fluoro-2-methoxy-phenoxy)ethyl]-1-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propan-2-amine; oxalic acid CAS Name: N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-1-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-propanamine; oxalic acid IUPAC Name: N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)propan-2-amine; oxalic acid Traditional Name: 2-(5-fluoro-2-methoxy-phenoxy)ethyl-[2-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)-1-methyl-ethyl]amine; oxalic acid Formula: C25H33FN2O9S MolecularWeight: 556.600923

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2)NCCOC3=C(C=CC(=C3)F)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2)NCCOC3=C(C=CC(=C3)F)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31FN2O5S.C2H2O4/c1-17(25-10-13-31-22-16-19(24)7-9-20(22)29-2)14-18-6-8-21(30-3)23(15-18)32(27,28)26-11-4-5-12-26;3-1(4)2(5)6/h6-9,15-17,25H,4-5,10-14H2,1-3H3;(H,3,4)(H,5,6)