methyl (E,4R,5S)-5-[(4-methylphenyl)sulfonylamino]-4-phenylsulfanyl-hex-2-enoate

Systemtic Name: methyl (E,4R,5S)-5-[(4-methylphenyl)sulfonylamino]-4-phenylsulfanyl-hex-2-enoate Openeye Name: methyl (E,4R,5S)-4-phenylsulfanyl-5-(p-tolylsulfonylamino)hex-2-enoate CAS Name: (E,4R,5S)-5-[(4-methylphenyl)sulfonylamino]-4-(phenylthio)-2-hexenoic acid methyl ester IUPAC Name: methyl (E,4R,5S)-5-[(4-methylphenyl)sulfonylamino]-4-phenylsulfanylhex-2-enoate Traditional Name: (E,4R,5S)-4-(phenylthio)-5-(tosylamino)hex-2-enoic acid methyl ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(C=CC(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)[C@@H](/C=C/C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C20H23NO4S2/c1-15-9-11-18(12-10-15)27(23,24)21-16(2)19(13-14-20(22)25-3)26-17-7-5-4-6-8-17/h4-14,16,19,21H,1-3H3/b14-13+/t16-,19+/m0/s1