(3-morpholin-4-ylsulfonylphenyl)methyl 3,5-dimethylbenzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3,5-dimethylbenzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C20H23NO5S/c1-15-10-16(2)12-18(11-15)20(22)26-14-17-4-3-5-19(13-17)27(23,24)21-6-8-25-9-7-21/h3-5,10-13H,6-9,14H2,1-2H3