(5-methyl-2-nitro-phenyl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (5-methyl-2-nitro-phenyl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (5-methyl-2-nitro-phenyl) 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid (5-methyl-2-nitro-phenyl) 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)OC3=C(C=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=C(C=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-14-9-11-21(12-10-14)29(26,27)17-6-4-16(5-7-17)20(23)28-19-13-15(2)3-8-18(19)22(24)25/h3-8,13-14H,9-12H2,1-2H3