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

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-chloranyl-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-chloro-2,5-dimethyl-benzenesulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]-4-chloro-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-chloro-2,5-dimethylbenzenesulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-4-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=CN(N=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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