2-[3-[[(4-butylphenyl)methyl-(phenylmethyl)sulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-butylphenyl)methyl-(phenylmethyl)sulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[benzylsulfonyl-[(4-butylphenyl)methyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-butylphenyl)methyl-(phenylmethyl)sulfonylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[benzylsulfonyl-[(4-butylphenyl)methyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[benzylsulfonyl-(4-butylbenzyl)amino]methyl]phenyl]acetic acid Formula: C27H31NO4S MolecularWeight: 465.60434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H31NO4S/c1-2-3-8-22-13-15-23(16-14-22)19-28(33(31,32)21-24-9-5-4-6-10-24)20-26-12-7-11-25(17-26)18-27(29)30/h4-7,9-17H,2-3,8,18-21H2,1H3,(H,29,30)