[4-(cyanomethyl)phenyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [4-(cyanomethyl)phenyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [4-(cyanomethyl)phenyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)CC#N

InChI

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