6-methyl-4-(4-phenylmethoxyphenyl)sulfonyl-2-propan-2-yl-morpholine-3-carboxylic acid

Systemtic Name: 6-methyl-4-(4-phenylmethoxyphenyl)sulfonyl-2-propan-2-yl-morpholine-3-carboxylic acid Openeye Name: 4-(4-benzyloxyphenyl)sulfonyl-2-isopropyl-6-methyl-morpholine-3-carboxylic acid CAS Name: 6-methyl-4-(4-phenylmethoxyphenyl)sulfonyl-2-propan-2-yl-3-morpholinecarboxylic acid IUPAC Name: 6-methyl-4-(4-phenylmethoxyphenyl)sulfonyl-2-propan-2-ylmorpholine-3-carboxylic acid Traditional Name: 4-(4-benzoxyphenyl)sulfonyl-2-isopropyl-6-methyl-morpholine-3-carboxylic acid Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C(O1)C(C)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1CN(C(C(O1)C(C)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO6S/c1-15(2)21-20(22(24)25)23(13-16(3)29-21)30(26,27)19-11-9-18(10-12-19)28-14-17-7-5-4-6-8-17/h4-12,15-16,20-21H,13-14H2,1-3H3,(H,24,25)