7-[(4-hexanoylphenyl)methyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[(4-hexanoylphenyl)methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[(4-hexanoylphenyl)methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[methylsulfonyl-[[4-(1-oxohexyl)phenyl]methyl]amino]heptanoic acid IUPAC Name: 7-[(4-hexanoylphenyl)methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[(4-caproylbenzyl)-mesyl-amino]enanthic acid Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C21H33NO5S/c1-3-4-7-10-20(23)19-14-12-18(13-15-19)17-22(28(2,26)27)16-9-6-5-8-11-21(24)25/h12-15H,3-11,16-17H2,1-2H3,(H,24,25)