[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(furan-2-yl)propanoate

Systemtic Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(furan-2-yl)propanoate Openeye Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(2-furyl)propanoate CAS Name: 3-(2-furanyl)propanoic acid [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-(furan-2-yl)propanoate Traditional Name: 3-(2-furyl)propionic acid [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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