heptyl 5-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: heptyl 5-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: heptyl 5-[(2-chloro-5-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2-chloro-5-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid heptyl ester Formula: C23H25ClN2O7S MolecularWeight: 508.9718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C23H25ClN2O7S/c1-3-4-5-6-7-12-32-23(27)22-15(2)33-20-11-8-16(13-18(20)22)25-34(30,31)21-14-17(26(28)29)9-10-19(21)24/h8-11,13-14,25H,3-7,12H2,1-2H3