methyl (E,5S,6R)-5-methyl-6-[(4-methylphenyl)sulfonylamino]-6-phenyl-hex-3-enoate

Systemtic Name: methyl (E,5S,6R)-5-methyl-6-[(4-methylphenyl)sulfonylamino]-6-phenyl-hex-3-enoate Openeye Name: methyl (E,5S,6R)-5-methyl-6-phenyl-6-(p-tolylsulfonylamino)hex-3-enoate CAS Name: (E,5S,6R)-5-methyl-6-[(4-methylphenyl)sulfonylamino]-6-phenyl-3-hexenoic acid methyl ester IUPAC Name: methyl (E,5S,6R)-5-methyl-6-[(4-methylphenyl)sulfonylamino]-6-phenylhex-3-enoate Traditional Name: (E,5S,6R)-5-methyl-6-phenyl-6-(tosylamino)hex-3-enoic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C)C=CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)[C@@H](C)/C=C/CC(=O)OC

InChI

InChI=1S/C21H25NO4S/c1-16-12-14-19(15-13-16)27(24,25)22-21(18-9-5-4-6-10-18)17(2)8-7-11-20(23)26-3/h4-10,12-15,17,21-22H,11H2,1-3H3/b8-7+/t17-,21+/m0/s1