4-methyl-N-[(1R)-1-phenyloct-2-ynyl]benzenesulfinamide

Systemtic Name: 4-methyl-N-[(1R)-1-phenyloct-2-ynyl]benzenesulfinamide Openeye Name: 4-methyl-N-[(1R)-1-phenyloct-2-ynyl]benzenesulfinamide CAS Name: 4-methyl-N-[(1R)-1-phenyloct-2-ynyl]benzenesulfinamide IUPAC Name: 4-methyl-N-[(1R)-1-phenyloct-2-ynyl]benzenesulfinamide Traditional Name: 4-methyl-N-[(1R)-1-phenyloct-2-ynyl]benzenesulfinamide Formula: C21H25NOS MolecularWeight: 339.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(C1=CC=CC=C1)NS(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC#C[C@@H](C1=CC=CC=C1)N[S@@](=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NOS/c1-3-4-5-6-10-13-21(19-11-8-7-9-12-19)22-24(23)20-16-14-18(2)15-17-20/h7-9,11-12,14-17,21-22H,3-6H2,1-2H3/t21-,24-/m0/s1