2-[3-[[(4-butylphenyl)methyl-thiophen-2-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-butylphenyl)methyl-thiophen-2-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-butylphenyl)methyl-(2-thienylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-butylphenyl)methyl-thiophen-2-ylsulfonylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-butylphenyl)methyl-thiophen-2-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-butylbenzyl)-(2-thienylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C24H27NO4S2 MolecularWeight: 457.60548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C24H27NO4S2/c1-2-3-6-19-10-12-20(13-11-19)17-25(31(28,29)24-9-5-14-30-24)18-22-8-4-7-21(15-22)16-23(26)27/h4-5,7-15H,2-3,6,16-18H2,1H3,(H,26,27)