2-[[4-[(4-pentylphenyl)carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[(4-pentylphenyl)carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[(4-pentylbenzoyl)amino]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[4-[[oxo-(4-pentylphenyl)methyl]amino]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[(4-pentylbenzoyl)amino]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[(4-amylbenzoyl)amino]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H30N2O5S/c1-2-3-5-8-20-11-13-22(14-12-20)26(30)28-23-15-17-24(18-16-23)35(33,34)29-25(27(31)32)19-21-9-6-4-7-10-21/h4,6-7,9-18,25,29H,2-3,5,8,19H2,1H3,(H,28,30)(H,31,32)