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

Systemtic Name: 7-[[4-(2-methylphenyl)phenyl]methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[methylsulfonyl-[[4-(o-tolyl)phenyl]methyl]amino]heptanoic acid CAS Name: 7-[[4-(2-methylphenyl)phenyl]methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[4-(2-methylphenyl)phenyl]methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[mesyl-[4-(o-tolyl)benzyl]amino]enanthic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)CN(CCCCCCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)CN(CCCCCCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C22H29NO4S/c1-18-9-6-7-10-21(18)20-14-12-19(13-15-20)17-23(28(2,26)27)16-8-4-3-5-11-22(24)25/h6-7,9-10,12-15H,3-5,8,11,16-17H2,1-2H3,(H,24,25)