N-(2-cyanoethyl)-2-[(4-fluorophenyl)sulfonyl-(4-methoxyphenyl)amino]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(4-fluorophenyl)sulfonyl-(4-methoxyphenyl)amino]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxy-anilino)-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxy-anilino)-N-phenyl-acetamide Formula: C24H22FN3O4S MolecularWeight: 467.512583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)N(CCC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)N(CCC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H22FN3O4S/c1-32-22-12-10-21(11-13-22)28(33(30,31)23-14-8-19(25)9-15-23)18-24(29)27(17-5-16-26)20-6-3-2-4-7-20/h2-4,6-15H,5,17-18H2,1H3