N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide Traditional Name: N-[1-(3-cyanobenzyl)pyrazol-4-yl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N)C)C)OC

InChI

InChI=1S/C21H22N4O3S/c1-14-8-20(28-4)15(2)16(3)21(14)29(26,27)24-19-11-23-25(13-19)12-18-7-5-6-17(9-18)10-22/h5-9,11,13,24H,12H2,1-4H3