dimethyl (2S)-2-[(E,3S)-3-[(4-methylphenyl)sulfonylamino]but-1-enyl]pentanedioate

Systemtic Name: dimethyl (2S)-2-[(E,3S)-3-[(4-methylphenyl)sulfonylamino]but-1-enyl]pentanedioate Openeye Name: dimethyl (2S)-2-[(E,3S)-3-(p-tolylsulfonylamino)but-1-enyl]pentanedioate CAS Name: (2S)-2-[(E,3S)-3-[(4-methylphenyl)sulfonylamino]but-1-enyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(E,3S)-3-[(4-methylphenyl)sulfonylamino]but-1-enyl]pentanedioate Traditional Name: (2S)-2-[(E,3S)-3-(tosylamino)but-1-enyl]glutaric acid dimethyl ester Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO6S/c1-13-5-10-16(11-6-13)26(22,23)19-14(2)7-8-15(18(21)25-4)9-12-17(20)24-3/h5-8,10-11,14-15,19H,9,12H2,1-4H3/b8-7+/t14-,15+/m0/s1