(phenylmethyl) 2-[[2-[(4-nitrophenyl)methylsulfonylmethyl]-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-[(4-nitrophenyl)methylsulfonylmethyl]-3-phenyl-propanoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-benzyl-3-[(4-nitrophenyl)methylsulfonyl]propanoyl]amino]acetate CAS Name: 2-[[2-[(4-nitrophenyl)methylsulfonylmethyl]-1-oxo-3-phenylpropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-benzyl-3-[(4-nitrophenyl)methylsulfonyl]propanoyl]amino]acetate Traditional Name: 2-[[2-benzyl-3-(4-nitrobenzyl)sulfonyl-propanoyl]amino]acetic acid benzyl ester Formula: C26H26N2O7S MolecularWeight: 510.55884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CS(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O7S/c29-25(35-17-21-9-5-2-6-10-21)16-27-26(30)23(15-20-7-3-1-4-8-20)19-36(33,34)18-22-11-13-24(14-12-22)28(31)32/h1-14,23H,15-19H2,(H,27,30)