[(1S)-1-(4-methylphenyl)ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(1S)-1-(4-methylphenyl)ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-1-(p-tolyl)ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [(1S)-1-(4-methylphenyl)ethyl] ester IUPAC Name: [(1S)-1-(4-methylphenyl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [(1S)-1-(p-tolyl)ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H25NO5S/c1-15-4-7-18(8-5-15)17(3)27-21(23)20-14-19(9-6-16(20)2)28(24,25)22-10-12-26-13-11-22/h4-9,14,17H,10-13H2,1-3H3/t17-/m0/s1