octyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: octyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: octyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid octyl ester IUPAC Name: octyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylic acid octyl ester Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O7S/c1-4-5-6-7-8-9-14-33-25(28)24-18(3)34-23-13-11-19(15-21(23)24)26-35(31,32)20-12-10-17(2)22(16-20)27(29)30/h10-13,15-16,26H,4-9,14H2,1-3H3