N-[(4-tert-butylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[(4-tert-butylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-tert-butylbenzyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O3S/c1-22(2,3)17-8-6-16(7-9-17)15-24-21(26)20-5-4-14-25(20)29(27,28)19-12-10-18(23)11-13-19/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,26)