N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(methylsulfonylaminomethyl)phenyl]-2-(trifluoromethyloxy)benzamide

Systemtic Name: N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(methylsulfonylaminomethyl)phenyl]-2-(trifluoromethyloxy)benzamide Openeye Name: N-[1-(cyanomethyl)-2-(1H-indol-3-yl)ethyl]-5-[3-(methanesulfonamidomethyl)phenyl]-2-(trifluoromethoxy)benzamide CAS Name: N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(methanesulfonamidomethyl)phenyl]-2-(trifluoromethoxy)benzamide IUPAC Name: N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(methanesulfonamidomethyl)phenyl]-2-(trifluoromethoxy)benzamide Traditional Name: N-[1-(cyanomethyl)-2-(1H-indol-3-yl)ethyl]-5-[3-(methanesulfonamidomethyl)phenyl]-2-(trifluoromethoxy)benzamide Formula: C28H25F3N4O4S MolecularWeight: 570.58271

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=CC=CC(=C1)C2=CC(=C(C=C2)OC(F)(F)F)C(=O)NC(CC#N)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)NCC1=CC=CC(=C1)C2=CC(=C(C=C2)OC(F)(F)F)C(=O)NC(CC#N)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C28H25F3N4O4S/c1-40(37,38)34-16-18-5-4-6-19(13-18)20-9-10-26(39-28(29,30)31)24(15-20)27(36)35-22(11-12-32)14-21-17-33-25-8-3-2-7-23(21)25/h2-10,13,15,17,22,33-34H,11,14,16H2,1H3,(H,35,36)