dimethyl 5-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]benzene-1,3-dicarboxylate CAS Name: 5-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenoxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H24N2O9S MolecularWeight: 492.49896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O9S/c1-14-6-8-23(9-7-14)34(29,30)18-4-5-20(19(13-18)24(27)28)33-17-11-15(21(25)31-2)10-16(12-17)22(26)32-3/h4-5,10-14H,6-9H2,1-3H3