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

Systemtic Name: octyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: octyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid octyl ester IUPAC Name: octyl 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid octyl ester Formula: C25H30N2O8S MolecularWeight: 518.5793

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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)OC)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O8S/c1-4-5-6-7-8-9-14-34-25(28)24-17(2)35-22-12-10-18(15-20(22)24)26-36(31,32)19-11-13-23(33-3)21(16-19)27(29)30/h10-13,15-16,26H,4-9,14H2,1-3H3