(3-morpholin-4-ylsulfonylphenyl)methyl 4-methyl-3-oxidanyl-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-methyl-3-oxidanyl-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6S/c1-14-5-6-16(12-18(14)21)19(22)26-13-15-3-2-4-17(11-15)27(23,24)20-7-9-25-10-8-20/h2-6,11-12,21H,7-10,13H2,1H3