4-[(S)-cyano(phenylsulfonyl)methyl]heptanedioate

Systemtic Name: 4-[(S)-cyano(phenylsulfonyl)methyl]heptanedioate Openeye Name: 4-[(S)-benzenesulfonyl(cyano)methyl]heptanedioate CAS Name: 4-[(S)-benzenesulfonyl(cyano)methyl]heptanedioate IUPAC Name: 4-[(S)-benzenesulfonyl(cyano)methyl]heptanedioate Traditional Name: 4-[(S)-besyl(cyano)methyl]pimelate Formula: C15H15NO6S-2 MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(C#N)C(CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[C@H](C#N)C(CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C15H17NO6S/c16-10-13(23(21,22)12-4-2-1-3-5-12)11(6-8-14(17)18)7-9-15(19)20/h1-5,11,13H,6-9H2,(H,17,18)(H,19,20)/p-2/t13-/m1/s1