N-(5-chloranyl-2-methoxy-phenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-(5-chloro-2-methoxy-phenyl)-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-(5-chloro-2-methoxy-phenyl)-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN3O3S2/c1-28-18-10-9-16(22)12-17(18)24-30(26,27)20-14-25(13-15-6-3-2-4-7-15)23-21(20)19-8-5-11-29-19/h2-12,14,24H,13H2,1H3