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

Systemtic Name: N-(2-cyanoethyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]-1-indolyl]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[3-(3-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(=CC=C3)F

Isomeric SMILES

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

InChI

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