(3-nitrophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-nitrophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-nitrophenyl)methyl 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid (3-nitrobenzyl) ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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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=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O7S/c27-23(33-17-18-5-4-6-19(15-18)26(28)29)21-16-20(34(30,31)25-9-2-1-3-10-25)7-8-22(21)24-11-13-32-14-12-24/h4-8,15-16H,1-3,9-14,17H2