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

Systemtic Name: methyl 3-nitro-5-[[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[2-[3-(1-piperidylsulfonyl)phenyl]isoindolin-1-ylidene]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[2-[3-(1-piperidinylsulfonyl)phenyl]-3H-isoindol-1-ylidene]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]carbamoyl]benzoate Traditional Name: 3-nitro-5-[[2-(3-piperidinosulfonylphenyl)isoindolin-1-ylidene]carbamoyl]benzoic acid methyl ester Formula: C28H26N4O7S MolecularWeight: 562.59364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N=C2C3=CC=CC=C3CN2C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N=C2C3=CC=CC=C3CN2C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O7S/c1-39-28(34)21-14-20(15-23(16-21)32(35)36)27(33)29-26-25-11-4-3-8-19(25)18-31(26)22-9-7-10-24(17-22)40(37,38)30-12-5-2-6-13-30/h3-4,7-11,14-17H,2,5-6,12-13,18H2,1H3