1-[(5-fluoranyl-2-methoxy-phenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(5-fluoranyl-2-methoxy-phenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine Openeye Name: 1-[(5-fluoro-2-methoxy-phenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine CAS Name: 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylpiperazine IUPAC Name: 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine Traditional Name: 1-(5-fluoro-2-methoxy-benzyl)-4-(4-pyrrolidinosulfonylphenyl)sulfonyl-piperazine Formula: C22H28FN3O5S2 MolecularWeight: 497.603223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H28FN3O5S2/c1-31-22-9-4-19(23)16-18(22)17-24-12-14-26(15-13-24)33(29,30)21-7-5-20(6-8-21)32(27,28)25-10-2-3-11-25/h4-9,16H,2-3,10-15,17H2,1H3