(2-cyanophenyl)methyl 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: (2-cyanophenyl)methyl 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate Openeye Name: (2-cyanophenyl)methyl 3-(tetralin-6-ylsulfonylamino)propanoate CAS Name: 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(tetralin-6-ylsulfonylamino)propionic acid (2-cyanobenzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCCC(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCCC(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N2O4S/c22-14-18-7-3-4-8-19(18)15-27-21(24)11-12-23-28(25,26)20-10-9-16-5-1-2-6-17(16)13-20/h3-4,7-10,13,23H,1-2,5-6,11-12,15H2