N-[(2S)-1-(5-bromanyl-3-cyano-indol-1-yl)butan-2-yl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-(5-bromanyl-3-cyano-indol-1-yl)butan-2-yl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[(1S)-1-[(5-bromo-3-cyano-indol-1-yl)methyl]propyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[(2S)-1-(5-bromo-3-cyano-1-indolyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[(2S)-1-(5-bromo-3-cyanoindol-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[(1S)-1-[(5-bromo-3-cyano-indol-1-yl)methyl]propyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)Br)C#N)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC[C@@H](CN1C=C(C2=C1C=CC(=C2)Br)C#N)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C22H24BrN3O2S/c1-5-19(25-29(27,28)22-15(3)8-14(2)9-16(22)4)13-26-12-17(11-24)20-10-18(23)6-7-21(20)26/h6-10,12,19,25H,5,13H2,1-4H3/t19-/m0/s1