[3-(2,5-dimethylphenyl)sulfonyl-2-oxidanyl-propyl] ethanoate; N-methylaniline

Systemtic Name: [3-(2,5-dimethylphenyl)sulfonyl-2-oxidanyl-propyl] ethanoate; N-methylaniline Openeye Name: [3-(2,5-dimethylphenyl)sulfonyl-2-hydroxy-propyl] acetate; N-methylaniline CAS Name: acetic acid [3-(2,5-dimethylphenyl)sulfonyl-2-hydroxypropyl] ester; N-methylaniline IUPAC Name: [3-(2,5-dimethylphenyl)sulfonyl-2-hydroxypropyl] acetate; N-methylaniline Traditional Name: acetic acid [3-(2,5-dimethylphenyl)sulfonyl-2-hydroxy-propyl] ester; methyl(phenyl)amine Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC(COC(=O)C)O.CNC1=CC=CC=C1

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC(COC(=O)C)O.CNC1=CC=CC=C1

InChI

InChI=1S/C13H18O5S.C7H9N/c1-9-4-5-10(2)13(6-9)19(16,17)8-12(15)7-18-11(3)14;1-8-7-5-3-2-4-6-7/h4-6,12,15H,7-8H2,1-3H3;2-6,8H,1H3