4-methyl-N-[(3S,4R)-3-(phenylsulfonyl)pentadec-1-en-4-yl]benzenesulfinamide

Systemtic Name: 4-methyl-N-[(3S,4R)-3-(phenylsulfonyl)pentadec-1-en-4-yl]benzenesulfinamide Openeye Name: N-[(1R)-1-[(1S)-1-(benzenesulfonyl)allyl]dodecyl]-4-methyl-benzenesulfinamide CAS Name: N-[(3S,4R)-3-(benzenesulfonyl)pentadec-1-en-4-yl]-4-methylbenzenesulfinamide IUPAC Name: N-[(3S,4R)-3-(benzenesulfonyl)pentadec-1-en-4-yl]-4-methylbenzenesulfinamide Traditional Name: N-[(1R,2S)-2-besyl-1-undecyl-but-3-enyl]-4-methyl-benzenesulfinamide Formula: C28H41NO3S2 MolecularWeight: 503.76004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C=C)S(=O)(=O)C1=CC=CC=C1)NS(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO3S2/c1-4-6-7-8-9-10-11-12-16-19-27(29-33(30)25-22-20-24(3)21-23-25)28(5-2)34(31,32)26-17-14-13-15-18-26/h5,13-15,17-18,20-23,27-29H,2,4,6-12,16,19H2,1,3H3/t27-,28+,33+/m1/s1