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(3-nitrophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

(3-nitrophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name:(3-nitrophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate
Openeye Name:(3-nitrophenyl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate
CAS Name:4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (3-nitrophenyl)methyl ester
IUPAC Name:(3-nitrophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
Traditional Name:4-methyl-3-piperidinosulfonyl-benzoic acid (3-nitrobenzyl) ester
Formula: C20H22N2O6S
MolecularWeight: 418.46348
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3


Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3


InChI

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


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