(3-morpholin-4-ylsulfonylphenyl)methyl 4-propan-2-ylbenzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-propan-2-ylbenzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-16(2)18-6-8-19(9-7-18)21(23)27-15-17-4-3-5-20(14-17)28(24,25)22-10-12-26-13-11-22/h3-9,14,16H,10-13,15H2,1-2H3