(3-nitrophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: (3-nitrophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (3-nitrophenyl) 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (3-nitrophenyl) ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c22-19(27-17-6-4-5-16(14-17)21(23)24)13-15-7-9-18(10-8-15)28(25,26)20-11-2-1-3-12-20/h4-10,14H,1-3,11-13H2