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

Systemtic Name: ethyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonyl-cyclohexylcarbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-chloro-3-nitro-phenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonyl-[cyclohexyl(oxo)methyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-3-nitrophenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonyl-(cyclohexanecarbonyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C30H27ClN2O8S MolecularWeight: 611.06198

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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)Cl)[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)Cl)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C30H27ClN2O8S/c1-2-40-30(35)27-23-17-21(13-16-26(23)41-28(27)19-9-5-3-6-10-19)32(29(34)20-11-7-4-8-12-20)42(38,39)22-14-15-24(31)25(18-22)33(36)37/h3,5-6,9-10,13-18,20H,2,4,7-8,11-12H2,1H3