N-[(2S)-1-[3-(cyanomethyl)indol-1-yl]butan-2-yl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-[3-(cyanomethyl)indol-1-yl]butan-2-yl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[(1S)-1-[[3-(cyanomethyl)indol-1-yl]methyl]propyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[(2S)-1-[3-(cyanomethyl)-1-indolyl]butan-2-yl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[(2S)-1-[3-(cyanomethyl)indol-1-yl]butan-2-yl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[(1S)-1-[[3-(cyanomethyl)indol-1-yl]methyl]propyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=CC=CC=C21)CC#N)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC[C@@H](CN1C=C(C2=CC=CC=C21)CC#N)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C23H27N3O2S/c1-5-20(25-29(27,28)23-17(3)12-16(2)13-18(23)4)15-26-14-19(10-11-24)21-8-6-7-9-22(21)26/h6-9,12-14,20,25H,5,10,15H2,1-4H3/t20-/m0/s1