N-(2-methoxyphenyl)-N-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thiophene-2-sulfonamide

Systemtic Name: N-(2-methoxyphenyl)-N-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thiophene-2-sulfonamide Openeye Name: N-(2-methoxyphenyl)-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thiophene-2-sulfonamide CAS Name: N-(2-methoxyphenyl)-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-2-thiophenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thiophene-2-sulfonamide Traditional Name: N-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(=O)N2CCC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N(CC(=O)N2CCC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H21N3O4S2/c1-29-20-11-6-5-10-19(20)25(31(27,28)22-12-7-15-30-22)16-21(26)24-14-13-18(23-24)17-8-3-2-4-9-17/h2-12,15H,13-14,16H2,1H3