(3-phenylpropanoylamino) 2-[[3-[(3-aminophenyl)sulfonylamino]phenyl]methyl]butanoate

Systemtic Name: (3-phenylpropanoylamino) 2-[[3-[(3-aminophenyl)sulfonylamino]phenyl]methyl]butanoate Openeye Name: (3-phenylpropanoylamino) 2-[[3-[(3-aminophenyl)sulfonylamino]phenyl]methyl]butanoate CAS Name: 2-[[3-[(3-aminophenyl)sulfonylamino]phenyl]methyl]butanoic acid [(1-oxo-3-phenylpropyl)amino] ester IUPAC Name: (3-phenylpropanoylamino) 2-[[3-[(3-aminophenyl)sulfonylamino]phenyl]methyl]butanoate Traditional Name: 2-[3-[(3-aminophenyl)sulfonylamino]benzyl]butyric acid (hydrocinnamoylamino) ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N)C(=O)ONC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCC(CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N)C(=O)ONC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O5S/c1-2-21(26(31)34-28-25(30)15-14-19-8-4-3-5-9-19)16-20-10-6-12-23(17-20)29-35(32,33)24-13-7-11-22(27)18-24/h3-13,17-18,21,29H,2,14-16,27H2,1H3,(H,28,30)