tert-butyl 2-[[4-[(4-pentylphenyl)carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[4-[(4-pentylphenyl)carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[4-[(4-pentylbenzoyl)amino]phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[[4-[[oxo-(4-pentylphenyl)methyl]amino]phenyl]sulfonylamino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(4-pentylbenzoyl)amino]phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[[4-[(4-amylbenzoyl)amino]phenyl]sulfonylamino]-3-phenyl-propionic acid tert-butyl ester Formula: C31H38N2O5S MolecularWeight: 550.70882

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O5S/c1-5-6-8-11-23-14-16-25(17-15-23)29(34)32-26-18-20-27(21-19-26)39(36,37)33-28(30(35)38-31(2,3)4)22-24-12-9-7-10-13-24/h7,9-10,12-21,28,33H,5-6,8,11,22H2,1-4H3,(H,32,34)