1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]butane-1-sulfonamide

Systemtic Name: 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]butane-1-sulfonamide Openeye Name: 1-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]butane-1-sulfonamide CAS Name: 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-1-butanesulfonamide IUPAC Name: 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butane-1-sulfonamide Traditional Name: 1-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]butane-1-sulfonamide Formula: C21H27FN2O4S2 MolecularWeight: 454.578483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F)S(=O)(=O)N

Isomeric SMILES

CCCC(C1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F)S(=O)(=O)N

InChI

InChI=1S/C21H27FN2O4S2/c1-3-4-21(29(23,25)26)20-14-13-19(16-7-9-17(22)10-8-16)24(20)30(27,28)18-11-5-15(2)6-12-18/h5-12,19-21H,3-4,13-14H2,1-2H3,(H2,23,25,26)