(2-nitrophenyl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (2-nitrophenyl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (2-nitrophenyl)methyl 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid (2-nitrobenzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-15-7-4-5-12-21(15)29(26,27)18-10-6-9-16(13-18)20(23)28-14-17-8-2-3-11-19(17)22(24)25/h2-3,6,8-11,13,15H,4-5,7,12,14H2,1H3/t15-/m0/s1