N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-chloranyl-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-chloranyl-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-chloro-2,5-dimethyl-benzenesulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-4-chloro-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-chloro-2,5-dimethylbenzenesulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]-4-chloro-2,5-dimethyl-benzenesulfonamide Formula: C18H17BrClN3O2S MolecularWeight: 454.76848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrClN3O2S/c1-12-10-17(13(2)9-16(12)20)26(24,25)22-18-7-8-23(21-18)11-14-3-5-15(19)6-4-14/h3-10H,11H2,1-2H3,(H,21,22)