dimethyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(4-methyl-1-piperidyl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(4-methylpiperidino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O8S/c1-14-6-8-24(9-7-14)19-5-4-18(13-20(19)25(28)29)34(30,31)23-17-11-15(21(26)32-2)10-16(12-17)22(27)33-3/h4-5,10-14,23H,6-9H2,1-3H3