5-[[(3-fluoranyl-4-methoxy-phenyl)methylamino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol

Systemtic Name: 5-[[(3-fluoranyl-4-methoxy-phenyl)methylamino]methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: 5-[[(3-fluoro-4-methoxy-phenyl)methylamino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol CAS Name: 5-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: 5-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: 5-[[(3-fluoro-4-methoxy-benzyl)amino]methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol Formula: C23H25FN2O3S2 MolecularWeight: 460.584603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S)F

InChI

InChI=1S/C23H25FN2O3S2/c1-29-23-9-6-16(10-22(23)24)13-25-14-19-12-20(30)15-26(19)31(27,28)21-8-7-17-4-2-3-5-18(17)11-21/h2-11,19-20,25,30H,12-15H2,1H3