2-[2-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]propyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]propyl]phenyl]ethanoic acid Openeye Name: 2-[2-[3-[(4-butylphenyl)methyl-methylsulfonyl-amino]propyl]phenyl]acetic acid CAS Name: 2-[2-[3-[(4-butylphenyl)methyl-methylsulfonylamino]propyl]phenyl]acetic acid IUPAC Name: 2-[2-[3-[(4-butylphenyl)methyl-methylsulfonylamino]propyl]phenyl]acetic acid Traditional Name: 2-[2-[3-[(4-butylbenzyl)-mesyl-amino]propyl]phenyl]acetic acid Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCC2=CC=CC=C2CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCC2=CC=CC=C2CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C23H31NO4S/c1-3-4-8-19-12-14-20(15-13-19)18-24(29(2,27)28)16-7-11-21-9-5-6-10-22(21)17-23(25)26/h5-6,9-10,12-15H,3-4,7-8,11,16-18H2,1-2H3,(H,25,26)