5-(4-methylphenyl)sulfonyl-6-[[(phenylmethyl)amino]methyl]hept-6-en-2-one

Systemtic Name: 5-(4-methylphenyl)sulfonyl-6-[[(phenylmethyl)amino]methyl]hept-6-en-2-one Openeye Name: 6-[(benzylamino)methyl]-5-(p-tolylsulfonyl)hept-6-en-2-one CAS Name: 5-(4-methylphenyl)sulfonyl-6-[[(phenylmethyl)amino]methyl]-6-hepten-2-one IUPAC Name: 6-[(benzylamino)methyl]-5-(4-methylphenyl)sulfonylhept-6-en-2-one Traditional Name: 6-[(benzylamino)methyl]-5-tosyl-hept-6-en-2-one Formula: C22H27NO3S MolecularWeight: 385.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)C)C(=C)CNCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)C)C(=C)CNCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO3S/c1-17-9-12-21(13-10-17)27(25,26)22(14-11-19(3)24)18(2)15-23-16-20-7-5-4-6-8-20/h4-10,12-13,22-23H,2,11,14-16H2,1,3H3