[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO5S/c1-16-9-10-18(17(2)13-16)14-22(3)20(23)15-27-21(24)11-12-28(25,26)19-7-5-4-6-8-19/h4-10,13H,11-12,14-15H2,1-3H3