[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(furan-2-yl)propanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(furan-2-yl)propanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(2-furyl)propanoate CAS Name: 3-(2-furanyl)propanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-(furan-2-yl)propanoate Traditional Name: 3-(2-furyl)propionic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCC3=CC=CO3)C

InChI

InChI=1S/C22H23NO5S/c1-16-6-12-21(15-17(16)2)29(25,26)23(3)18-7-9-20(10-8-18)28-22(24)13-11-19-5-4-14-27-19/h4-10,12,14-15H,11,13H2,1-3H3