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

Systemtic Name: 2-[3-[[methylsulfonyl-[(4-pentylphenyl)methyl]amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[methylsulfonyl-[(4-pentylphenyl)methyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[methylsulfonyl-[(4-pentylphenyl)methyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[methylsulfonyl-[(4-pentylphenyl)methyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-amylbenzyl)-mesyl-amino]methyl]phenyl]acetic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

InChI

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