N-[4-bromanyl-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-propyl-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-propyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-4-propylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(2,4-dichlorobenzyl)pyrazol-3-yl]-4-propyl-benzenesulfonamide Formula: C19H18BrCl2N3O2S MolecularWeight: 503.24012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H18BrCl2N3O2S/c1-2-3-13-4-8-16(9-5-13)28(26,27)24-19-17(20)12-25(23-19)11-14-6-7-15(21)10-18(14)22/h4-10,12H,2-3,11H2,1H3,(H,23,24)