dimethyl 5-[methyl(octadecyl)sulfamoyl]-2-nitro-benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[methyl(octadecyl)sulfamoyl]-2-nitro-benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[methyl(octadecyl)sulfamoyl]-2-nitro-benzene-1,3-dicarboxylate CAS Name: 5-[methyl(octadecyl)sulfamoyl]-2-nitrobenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[methyl(octadecyl)sulfamoyl]-2-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-[methyl(stearyl)sulfamoyl]-2-nitro-benzene-1,3-dicarboxylic acid dimethyl ester Formula: C29H48N2O8S MolecularWeight: 584.76502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC(=C(C(=C1)C(=O)OC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC(=C(C(=C1)C(=O)OC)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C29H48N2O8S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(2)40(36,37)24-22-25(28(32)38-3)27(31(34)35)26(23-24)29(33)39-4/h22-23H,5-21H2,1-4H3