(phenylmethyl) 5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: (phenylmethyl) 5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: benzyl 5-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid benzyl ester Formula: C27H19ClN2O7S MolecularWeight: 550.96696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H19ClN2O7S/c1-16-25(27(31)36-15-17-7-3-2-4-8-17)21-14-23(19-9-5-6-10-20(19)26(21)37-16)29-38(34,35)18-11-12-22(28)24(13-18)30(32)33/h2-14,29H,15H2,1H3