(3-cyanophenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: (3-cyanophenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: (3-cyanophenyl)methyl 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid (3-cyanobenzyl) ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H18N2O4S/c22-14-16-4-3-5-17(12-16)15-27-21(24)10-11-23-28(25,26)20-9-8-18-6-1-2-7-19(18)13-20/h1-9,12-13,23H,10-11,15H2