(4-nitrophenyl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (4-nitrophenyl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-nitrophenyl)methyl 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid (4-nitrobenzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-15-4-2-3-13-21(15)29(26,27)19-11-7-17(8-12-19)20(23)28-14-16-5-9-18(10-6-16)22(24)25/h5-12,15H,2-4,13-14H2,1H3