[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] (2S)-2-phenoxypropanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] (2S)-2-phenoxypropanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C(C)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)[C@H](C)OC3=CC=CC=C3)C

InChI

InChI=1S/C24H25NO5S/c1-17-10-15-23(16-18(17)2)31(27,28)25(4)20-11-13-22(14-12-20)30-24(26)19(3)29-21-8-6-5-7-9-21/h5-16,19H,1-4H3/t19-/m0/s1