N-[[2,6-bis(fluoranyl)phenyl]methyl]-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: N-[[2,6-bis(fluoranyl)phenyl]methyl]-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-[(2,6-difluorophenyl)methyl]pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-[(2,6-difluorophenyl)methyl]-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-[(2,6-difluorophenyl)methyl]pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-(2,6-difluorobenzyl)pyrazole-4-sulfonamide Formula: C21H23F2N3O2S MolecularWeight: 419.488026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NCC2=C(C=CC=C2F)F)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NCC2=C(C=CC=C2F)F)CC3=CC=CC=C3

InChI

InChI=1S/C21H23F2N3O2S/c1-21(2,3)20-19(14-26(25-20)13-15-8-5-4-6-9-15)29(27,28)24-12-16-17(22)10-7-11-18(16)23/h4-11,14,24H,12-13H2,1-3H3