ethyl 5-[cyclohexylcarbonyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[cyclohexylcarbonyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[cyclohexanecarbonyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-(4-methyl-3-nitrophenyl)sulfonylamino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[cyclohexanecarbonyl-(4-methyl-3-nitrophenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H30N2O8S MolecularWeight: 590.6435

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O8S/c1-3-40-31(35)28-25-18-23(15-17-27(25)41-29(28)21-10-6-4-7-11-21)32(30(34)22-12-8-5-9-13-22)42(38,39)24-16-14-20(2)26(19-24)33(36)37/h4,6-7,10-11,14-19,22H,3,5,8-9,12-13H2,1-2H3