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

Systemtic Name: N-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-butan-2-yl-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-sec-butyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-4-butan-2-ylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-butan-2-ylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]-4-sec-butyl-benzenesulfonamide Formula: C20H21BrClN3O2S MolecularWeight: 482.82164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21BrClN3O2S/c1-3-14(2)16-6-10-18(11-7-16)28(26,27)24-20-19(21)13-25(23-20)12-15-4-8-17(22)9-5-15/h4-11,13-14H,3,12H2,1-2H3,(H,23,24)