7-[[4-(2-cyanophenyl)phenyl]methyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[[4-(2-cyanophenyl)phenyl]methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[4-(2-cyanophenyl)phenyl]methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[4-(2-cyanophenyl)phenyl]methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[4-(2-cyanophenyl)phenyl]methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[4-(2-cyanophenyl)benzyl]-mesyl-amino]enanthic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C2=CC=CC=C2C#N

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=CC=C(C=C1)C2=CC=CC=C2C#N

InChI

InChI=1S/C22H26N2O4S/c1-29(27,28)24(15-7-3-2-4-10-22(25)26)17-18-11-13-19(14-12-18)21-9-6-5-8-20(21)16-23/h5-6,8-9,11-14H,2-4,7,10,15,17H2,1H3,(H,25,26)