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

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(4-tert-butylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-(4-tert-butylbenzyl)pyrrolidine-2-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-22(2,3)18-13-11-17(12-14-18)16-23-21(25)20-10-7-15-24(20)28(26,27)19-8-5-4-6-9-19/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,23,25)