butyl 4-[[2-[(5-chloranyl-2-ethoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[(5-chloranyl-2-ethoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[(5-chloro-2-ethoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-[(5-chloro-2-ethoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoic acid butyl ester Formula: C28H31ClN2O6S MolecularWeight: 559.07354

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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=C(C=CC(=C3)Cl)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H31ClN2O6S/c1-3-5-17-37-28(33)21-11-14-23(15-12-21)30-27(32)24(18-20-9-7-6-8-10-20)31-38(34,35)26-19-22(29)13-16-25(26)36-4-2/h6-16,19,24,31H,3-5,17-18H2,1-2H3,(H,30,32)