2,3,4,5,6-pentamethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

Systemtic Name: 2,3,4,5,6-pentamethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide Openeye Name: 2,3,4,5,6-pentamethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide CAS Name: 2,3,4,5,6-pentamethyl-N-[(1-phenyl-4-pyrazolyl)methyl]benzenesulfonamide IUPAC Name: 2,3,4,5,6-pentamethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide Traditional Name: 2,3,4,5,6-pentamethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H25N3O2S/c1-14-15(2)17(4)21(18(5)16(14)3)27(25,26)23-12-19-11-22-24(13-19)20-9-7-6-8-10-20/h6-11,13,23H,12H2,1-5H3