4-methyl-N-[(3R)-4-methyl-1-(4-methylphenyl)sulfonyl-1-methylsulfanyl-pentan-3-yl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(3R)-4-methyl-1-(4-methylphenyl)sulfonyl-1-methylsulfanyl-pentan-3-yl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide Openeye Name: N-[(E)-cinnamyl]-N-[(1R)-1-isopropyl-3-methylsulfanyl-3-(p-tolylsulfonyl)propyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[(3R)-4-methyl-1-(4-methylphenyl)sulfonyl-1-(methylthio)pentan-3-yl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(3R)-4-methyl-1-(4-methylphenyl)sulfonyl-1-methylsulfanylpentan-3-yl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide Traditional Name: N-[(E)-cinnamyl]-N-[(1R)-1-isopropyl-3-(methylthio)-3-tosyl-propyl]-4-methyl-benzenesulfonamide Formula: C30H37NO4S3 MolecularWeight: 571.81408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC(C(C)C)N(CC=CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C[C@H](C(C)C)N(C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)SC

InChI

InChI=1S/C30H37NO4S3/c1-23(2)29(22-30(36-5)37(32,33)27-17-13-24(3)14-18-27)31(21-9-12-26-10-7-6-8-11-26)38(34,35)28-19-15-25(4)16-20-28/h6-20,23,29-30H,21-22H2,1-5H3/b12-9+/t29-,30?/m1/s1