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

Systemtic Name: N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]-3,4-dimethyl-benzenesulfonamide Formula: C18H16BrCl2N3O2S MolecularWeight: 489.21354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C18H16BrCl2N3O2S/c1-11-3-5-14(7-12(11)2)27(25,26)23-18-15(19)10-24(22-18)9-13-4-6-16(20)17(21)8-13/h3-8,10H,9H2,1-2H3,(H,22,23)