2-[[4-[pentan-2-yl(phenylcarbonyl)amino]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[pentan-2-yl(phenylcarbonyl)amino]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[benzoyl(1-methylbutyl)amino]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[4-[benzoyl(pentan-2-yl)amino]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[benzoyl(pentan-2-yl)amino]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[benzoyl(1-methylbutyl)amino]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(C)N(C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3

InChI

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