methyl (E,4S,5S)-2,5-dimethyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hept-2-enoate

Systemtic Name: methyl (E,4S,5S)-2,5-dimethyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hept-2-enoate Openeye Name: methyl (E,4S,5S)-2,5-dimethyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hept-2-enoate CAS Name: (E,4S,5S)-2,5-dimethyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-2-heptenoic acid methyl ester IUPAC Name: methyl (E,4S,5S)-2,5-dimethyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]hept-2-enoate Traditional Name: (E,4S,5S)-4-(mesitylsulfonylamino)-2,5-dimethyl-hept-2-enoic acid methyl ester Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=C(C)C(=O)OC)NS(=O)(=O)C1=C(C=C(C=C1C)C)C

Isomeric SMILES

CC[C@H](C)[C@@H](/C=C(\C)/C(=O)OC)NS(=O)(=O)C1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C19H29NO4S/c1-8-13(3)17(11-16(6)19(21)24-7)20-25(22,23)18-14(4)9-12(2)10-15(18)5/h9-11,13,17,20H,8H2,1-7H3/b16-11+/t13-,17+/m0/s1