(3-tert-butyl-4-phenylmethoxy-phenyl)-(1-methylsulfonylpropan-2-yl)carbamic acid

Systemtic Name: (3-tert-butyl-4-phenylmethoxy-phenyl)-(1-methylsulfonylpropan-2-yl)carbamic acid Openeye Name: (4-benzyloxy-3-tert-butyl-phenyl)-(1-methyl-2-methylsulfonyl-ethyl)carbamic acid CAS Name: (3-tert-butyl-4-phenylmethoxyphenyl)-(1-methylsulfonylpropan-2-yl)carbamic acid IUPAC Name: (3-tert-butyl-4-phenylmethoxyphenyl)-(1-methylsulfonylpropan-2-yl)carbamic acid Traditional Name: (4-benzoxy-3-tert-butyl-phenyl)-(2-mesyl-1-methyl-ethyl)carbamic acid Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C)N(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(CS(=O)(=O)C)N(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C22H29NO5S/c1-16(15-29(5,26)27)23(21(24)25)18-11-12-20(19(13-18)22(2,3)4)28-14-17-9-7-6-8-10-17/h6-13,16H,14-15H2,1-5H3,(H,24,25)