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

Systemtic Name: butyl 4-[[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: butyl 4-[[3-phenyl-2-(p-tolylsulfonylamino)propanoyl]amino]benzoate CAS Name: 4-[[2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[3-phenyl-2-(tosylamino)propanoyl]amino]benzoic acid butyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5S/c1-3-4-18-34-27(31)22-12-14-23(15-13-22)28-26(30)25(19-21-8-6-5-7-9-21)29-35(32,33)24-16-10-20(2)11-17-24/h5-17,25,29H,3-4,18-19H2,1-2H3,(H,28,30)