(4-methylphenyl) 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-methylphenyl) 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: p-tolyl 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid p-tolyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4

InChI

InChI=1S/C23H28N2O5S/c1-18-5-7-19(8-6-18)30-23(26)21-17-20(31(27,28)25-11-3-2-4-12-25)9-10-22(21)24-13-15-29-16-14-24/h5-10,17H,2-4,11-16H2,1H3