N-(4-bromanyl-2-methyl-phenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-(4-bromo-2-methyl-phenyl)-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-(4-bromo-2-methylphenyl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-(4-bromo-2-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-(4-bromo-2-methyl-phenyl)-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C21H18BrN3O2S2 MolecularWeight: 488.42052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18BrN3O2S2/c1-15-12-17(22)9-10-18(15)24-29(26,27)20-14-25(13-16-6-3-2-4-7-16)23-21(20)19-8-5-11-28-19/h2-12,14,24H,13H2,1H3