[2,6-di(propan-2-yl)phenyl] 2-[(3-bromanyl-2-methyl-phenyl)methylamino]-2-oxidanylidene-ethanesulfonate

Systemtic Name: [2,6-di(propan-2-yl)phenyl] 2-[(3-bromanyl-2-methyl-phenyl)methylamino]-2-oxidanylidene-ethanesulfonate Openeye Name: (2,6-diisopropylphenyl) 2-[(3-bromo-2-methyl-phenyl)methylamino]-2-oxo-ethanesulfonate CAS Name: 2-[(3-bromo-2-methylphenyl)methylamino]-2-oxoethanesulfonic acid [2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [2,6-di(propan-2-yl)phenyl] 2-[(3-bromo-2-methylphenyl)methylamino]-2-oxoethanesulfonate Traditional Name: 2-[(3-bromo-2-methyl-benzyl)amino]-2-keto-ethanesulfonic acid (2,6-diisopropylphenyl) ester Formula: C22H28BrNO4S MolecularWeight: 482.43102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Br)CNC(=O)CS(=O)(=O)OC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CC1=C(C=CC=C1Br)CNC(=O)CS(=O)(=O)OC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C22H28BrNO4S/c1-14(2)18-9-7-10-19(15(3)4)22(18)28-29(26,27)13-21(25)24-12-17-8-6-11-20(23)16(17)5/h6-11,14-15H,12-13H2,1-5H3,(H,24,25)