4-butan-2-yl-N-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide

Systemtic Name: 4-butan-2-yl-N-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide Openeye Name: N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-sec-butyl-benzenesulfonamide CAS Name: 4-butan-2-yl-N-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]benzenesulfonamide IUPAC Name: 4-butan-2-yl-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]benzenesulfonamide Traditional Name: N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-sec-butyl-benzenesulfonamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-3-15(2)17-7-9-20(10-8-17)27(25,26)23-19-6-4-5-16(11-19)13-24-14-18(21)12-22-24/h4-12,14-15,23H,3,13H2,1-2H3