N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]-1-indolyl]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[3-(4-fluorobenzyl)sulfonylindol-1-yl]-N-methyl-acetamide Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CN(CCC#N)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O3S/c1-24(12-4-11-23)21(26)14-25-13-20(18-5-2-3-6-19(18)25)29(27,28)15-16-7-9-17(22)10-8-16/h2-3,5-10,13H,4,12,14-15H2,1H3