4-butan-2-yl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-butan-2-yl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide Openeye Name: N-[1-(p-tolylmethyl)pyrazol-3-yl]-4-sec-butyl-benzenesulfonamide CAS Name: 4-butan-2-yl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-butan-2-yl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide Traditional Name: N-[1-(4-methylbenzyl)pyrazol-3-yl]-4-sec-butyl-benzenesulfonamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O2S/c1-4-17(3)19-9-11-20(12-10-19)27(25,26)23-21-13-14-24(22-21)15-18-7-5-16(2)6-8-18/h5-14,17H,4,15H2,1-3H3,(H,22,23)