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

Systemtic Name: 4-methyl-N-[(3S,4R)-3-(phenylsulfonyl)hept-1-en-4-yl]benzenesulfinamide Openeye Name: N-[(1R,2S)-2-(benzenesulfonyl)-1-propyl-but-3-enyl]-4-methyl-benzenesulfinamide CAS Name: N-[(3S,4R)-3-(benzenesulfonyl)hept-1-en-4-yl]-4-methylbenzenesulfinamide IUPAC Name: N-[(3S,4R)-3-(benzenesulfonyl)hept-1-en-4-yl]-4-methylbenzenesulfinamide Traditional Name: N-[(1R,2S)-2-besyl-1-propyl-but-3-enyl]-4-methyl-benzenesulfinamide Formula: C20H25NO3S2 MolecularWeight: 391.5474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[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/C20H25NO3S2/c1-4-9-19(21-25(22)17-14-12-16(3)13-15-17)20(5-2)26(23,24)18-10-7-6-8-11-18/h5-8,10-15,19-21H,2,4,9H2,1,3H3/t19-,20+,25+/m1/s1