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

Systemtic Name: (3-phenylpropanoylamino) 2-[[3-[(3-nitrophenyl)sulfonylamino]phenyl]methyl]butanoate Openeye Name: (3-phenylpropanoylamino) 2-[[3-[(3-nitrophenyl)sulfonylamino]phenyl]methyl]butanoate CAS Name: 2-[[3-[(3-nitrophenyl)sulfonylamino]phenyl]methyl]butanoic acid [(1-oxo-3-phenylpropyl)amino] ester IUPAC Name: (3-phenylpropanoylamino) 2-[[3-[(3-nitrophenyl)sulfonylamino]phenyl]methyl]butanoate Traditional Name: 2-[3-[(3-nitrophenyl)sulfonylamino]benzyl]butyric acid (hydrocinnamoylamino) ester Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(=O)ONC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCC(CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(=O)ONC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O7S/c1-2-21(26(31)36-27-25(30)15-14-19-8-4-3-5-9-19)16-20-10-6-11-22(17-20)28-37(34,35)24-13-7-12-23(18-24)29(32)33/h3-13,17-18,21,28H,2,14-16H2,1H3,(H,27,30)