2-azanyl-N-[(2S)-1-(3-cyano-5-fluoranyl-indol-1-yl)butan-2-yl]-4,6-dimethyl-benzenesulfonamide

Systemtic Name: 2-azanyl-N-[(2S)-1-(3-cyano-5-fluoranyl-indol-1-yl)butan-2-yl]-4,6-dimethyl-benzenesulfonamide Openeye Name: 2-amino-N-[(1S)-1-[(3-cyano-5-fluoro-indol-1-yl)methyl]propyl]-4,6-dimethyl-benzenesulfonamide CAS Name: 2-amino-N-[(2S)-1-(3-cyano-5-fluoro-1-indolyl)butan-2-yl]-4,6-dimethylbenzenesulfonamide IUPAC Name: 2-amino-N-[(2S)-1-(3-cyano-5-fluoroindol-1-yl)butan-2-yl]-4,6-dimethylbenzenesulfonamide Traditional Name: 2-amino-N-[(1S)-1-[(3-cyano-5-fluoro-indol-1-yl)methyl]propyl]-4,6-dimethyl-benzenesulfonamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)F)C#N)NS(=O)(=O)C3=C(C=C(C=C3N)C)C

Isomeric SMILES

CC[C@@H](CN1C=C(C2=C1C=CC(=C2)F)C#N)NS(=O)(=O)C3=C(C=C(C=C3N)C)C

InChI

InChI=1S/C21H23FN4O2S/c1-4-17(25-29(27,28)21-14(3)7-13(2)8-19(21)24)12-26-11-15(10-23)18-9-16(22)5-6-20(18)26/h5-9,11,17,25H,4,12,24H2,1-3H3/t17-/m0/s1