pyridin-2-ylmethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: pyridin-2-ylmethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-pyridylmethyl 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid 2-pyridylmethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC4=CC=CC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C22H27N3O5S/c26-22(30-17-18-6-2-3-9-23-18)20-16-19(31(27,28)25-10-4-1-5-11-25)7-8-21(20)24-12-14-29-15-13-24/h2-3,6-9,16H,1,4-5,10-15,17H2