methyl 3-[[2-[3-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-[3-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-[3-(diethylsulfamoyl)phenyl]isoindolin-1-ylidene]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-[3-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(diethylsulfamoyl)phenyl]-3H-isoindol-1-ylidene]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-[3-(diethylsulfamoyl)phenyl]isoindolin-1-ylidene]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C27H26N4O7S MolecularWeight: 550.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H26N4O7S/c1-4-29(5-2)39(36,37)23-11-8-10-21(16-23)30-17-18-9-6-7-12-24(18)25(30)28-26(32)19-13-20(27(33)38-3)15-22(14-19)31(34)35/h6-16H,4-5,17H2,1-3H3