6,6-dimethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 6,6-dimethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 6,6-dimethyl-4-[4-(o-tolylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid CAS Name: 6,6-dimethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 6,6-dimethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylmorpholine-3-carboxylic acid Traditional Name: 6,6-dimethyl-4-[4-(2-methylbenzyl)oxyphenyl]sulfonyl-morpholine-3-carboxylic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CC(OCC3C(=O)O)(C)C

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CC(OCC3C(=O)O)(C)C

InChI

InChI=1S/C21H25NO6S/c1-15-6-4-5-7-16(15)12-27-17-8-10-18(11-9-17)29(25,26)22-14-21(2,3)28-13-19(22)20(23)24/h4-11,19H,12-14H2,1-3H3,(H,23,24)