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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl

InChI

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