N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-chloranyl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-4-chloro-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-chlorobenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-4-chloro-benzenesulfonamide Formula: C17H15BrClN3O2S MolecularWeight: 440.7419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)Cl)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C17H15BrClN3O2S/c1-12-2-4-13(5-3-12)10-22-11-16(18)17(20-22)21-25(23,24)15-8-6-14(19)7-9-15/h2-9,11H,10H2,1H3,(H,20,21)