1-(4-fluorophenyl)-3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]propan-1-one

Systemtic Name: 1-(4-fluorophenyl)-3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]propan-1-one Openeye Name: 1-(4-fluorophenyl)-3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-(2-naphthylsulfonyl)pyrrolidin-2-yl]propan-1-one CAS Name: 1-(4-fluorophenyl)-3-[4-[(4-methoxyphenyl)methylthio]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-1-propanone IUPAC Name: 1-(4-fluorophenyl)-3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]propan-1-one Traditional Name: 1-(4-fluorophenyl)-3-[1-(2-naphthylsulfonyl)-4-(p-anisylthio)pyrrolidin-2-yl]propan-1-one Formula: C31H30FNO4S2 MolecularWeight: 563.702603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CCC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CCC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H30FNO4S2/c1-37-28-14-6-22(7-15-28)21-38-29-19-27(13-17-31(34)24-8-11-26(32)12-9-24)33(20-29)39(35,36)30-16-10-23-4-2-3-5-25(23)18-30/h2-12,14-16,18,27,29H,13,17,19-21H2,1H3