(4-propan-2-ylphenyl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-isopropylphenyl)methyl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (4-isopropylbenzyl) ester Formula: C21H24BrNO5S MolecularWeight: 482.38796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H24BrNO5S/c1-15(2)17-5-3-16(4-6-17)14-28-21(24)18-7-8-19(22)20(13-18)29(25,26)23-9-11-27-12-10-23/h3-8,13,15H,9-12,14H2,1-2H3