(3-morpholin-4-ylsulfonylphenyl)methyl 3-cyanobenzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-cyanobenzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H18N2O5S/c20-13-15-3-1-5-17(11-15)19(22)26-14-16-4-2-6-18(12-16)27(23,24)21-7-9-25-10-8-21/h1-6,11-12H,7-10,14H2