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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-cyanobenzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-cyanobenzoate Traditional Name: 4-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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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