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

Systemtic Name: 2-[4-[2-[(4-butylphenyl)methyl-methylsulfonyl-amino]ethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[(4-butylphenyl)methyl-methylsulfonyl-amino]ethyl]phenyl]acetic acid CAS Name: 2-[4-[2-[(4-butylphenyl)methyl-methylsulfonylamino]ethyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[(4-butylphenyl)methyl-methylsulfonylamino]ethyl]phenyl]acetic acid Traditional Name: 2-[4-[2-[(4-butylbenzyl)-mesyl-amino]ethyl]phenyl]acetic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCC2=CC=C(C=C2)CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCC2=CC=C(C=C2)CC(=O)O)S(=O)(=O)C

InChI

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