2-[3-[[(4-butylphenyl)methyl-(5-pyridin-2-ylthiophen-3-yl)sulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-butylphenyl)methyl-(5-pyridin-2-ylthiophen-3-yl)sulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-butylphenyl)methyl-[[5-(2-pyridyl)-3-thienyl]sulfonyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-butylphenyl)methyl-[[5-(2-pyridinyl)-3-thiophenyl]sulfonyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-butylphenyl)methyl-(5-pyridin-2-ylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-butylbenzyl)-[[5-(2-pyridyl)-3-thienyl]sulfonyl]amino]methyl]phenyl]acetic acid Formula: C29H30N2O4S2 MolecularWeight: 534.6895

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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=CSC(=C3)C4=CC=CC=N4

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CSC(=C3)C4=CC=CC=N4

InChI

InChI=1S/C29H30N2O4S2/c1-2-3-7-22-11-13-23(14-12-22)19-31(20-25-9-6-8-24(16-25)17-29(32)33)37(34,35)26-18-28(36-21-26)27-10-4-5-15-30-27/h4-6,8-16,18,21H,2-3,7,17,19-20H2,1H3,(H,32,33)