butyl 4-[[2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[(4-ethoxyphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[3-phenyl-2-(p-phenetylsulfonylamino)propanoyl]amino]benzoic acid butyl ester Formula: C28H32N2O6S MolecularWeight: 524.62848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C28H32N2O6S/c1-3-5-19-36-28(32)22-11-13-23(14-12-22)29-27(31)26(20-21-9-7-6-8-10-21)30-37(33,34)25-17-15-24(16-18-25)35-4-2/h6-18,26,30H,3-5,19-20H2,1-2H3,(H,29,31)