(2,2-dimethyl-3-oxidanyl-propyl) 6-methyl-2-methylidene-4-[(4-methylphenyl)sulfonylamino]hept-5-enoate

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl) 6-methyl-2-methylidene-4-[(4-methylphenyl)sulfonylamino]hept-5-enoate Openeye Name: (3-hydroxy-2,2-dimethyl-propyl) 6-methyl-2-methylene-4-(p-tolylsulfonylamino)hept-5-enoate CAS Name: 6-methyl-2-methylene-4-[(4-methylphenyl)sulfonylamino]-5-heptenoic acid (3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: (3-hydroxy-2,2-dimethylpropyl) 6-methyl-2-methylidene-4-[(4-methylphenyl)sulfonylamino]hept-5-enoate Traditional Name: 6-methyl-2-methylene-4-(tosylamino)hept-5-enoic acid (3-hydroxy-2,2-dimethyl-propyl) ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=C)C(=O)OCC(C)(C)CO)C=C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=C)C(=O)OCC(C)(C)CO)C=C(C)C

InChI

InChI=1S/C21H31NO5S/c1-15(2)11-18(12-17(4)20(24)27-14-21(5,6)13-23)22-28(25,26)19-9-7-16(3)8-10-19/h7-11,18,22-23H,4,12-14H2,1-3,5-6H3