(4-nitrophenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (4-nitrophenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-nitrophenyl)methyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid (4-nitrobenzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-15-10-12-21(13-11-15)29(26,27)19-8-4-17(5-9-19)20(23)28-14-16-2-6-18(7-3-16)22(24)25/h2-9,15H,10-14H2,1H3