3-cyanopropyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-cyanopropyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 3-cyanopropyl 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid 3-cyanopropyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCCCC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCCCC#N

InChI

InChI=1S/C20H27N3O5S/c21-8-2-5-13-28-20(24)18-16-17(29(25,26)23-9-3-1-4-10-23)6-7-19(18)22-11-14-27-15-12-22/h6-7,16H,1-5,9-15H2