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

Systemtic Name: 7-[(4-tert-butylphenyl)methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[(4-tert-butylphenyl)methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[(4-tert-butylphenyl)methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[(4-tert-butylphenyl)methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[(4-tert-butylbenzyl)-mesyl-amino]enanthic acid Formula: C19H31NO4S MolecularWeight: 369.51874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO4S/c1-19(2,3)17-12-10-16(11-13-17)15-20(25(4,23)24)14-8-6-5-7-9-18(21)22/h10-13H,5-9,14-15H2,1-4H3,(H,21,22)