4-cyano-4-(phenylsulfonyl)heptanedioic acid

Systemtic Name: 4-cyano-4-(phenylsulfonyl)heptanedioic acid Openeye Name: 4-(benzenesulfonyl)-4-cyano-heptanedioic acid CAS Name: 4-(benzenesulfonyl)-4-cyanoheptanedioic acid IUPAC Name: 4-(benzenesulfonyl)-4-cyanoheptanedioic acid Traditional Name: 4-besyl-4-cyano-pimelic acid Formula: C14H15NO6S MolecularWeight: 325.337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)O)(CCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)O)(CCC(=O)O)C#N

InChI

InChI=1S/C14H15NO6S/c15-10-14(8-6-12(16)17,9-7-13(18)19)22(20,21)11-4-2-1-3-5-11/h1-5H,6-9H2,(H,16,17)(H,18,19)