methyl 3-cyclohexyl-2-[2-(2-methylsulfonyloxyethoxy)-3-nitro-phenyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-cyclohexyl-2-[2-(2-methylsulfonyloxyethoxy)-3-nitro-phenyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-cyclohexyl-2-[2-(2-methylsulfonyloxyethoxy)-3-nitro-phenyl]-1H-indole-6-carboxylate CAS Name: 3-cyclohexyl-2-[2-(2-methylsulfonyloxyethoxy)-3-nitrophenyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclohexyl-2-[2-(2-methylsulfonyloxyethoxy)-3-nitrophenyl]-1H-indole-6-carboxylate Traditional Name: 3-cyclohexyl-2-[2-(2-methylsulfonyloxyethoxy)-3-nitro-phenyl]-1H-indole-6-carboxylic acid methyl ester Formula: C25H28N2O8S MolecularWeight: 516.56342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C(N2)C3=C(C(=CC=C3)[N+](=O)[O-])OCCOS(=O)(=O)C)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C(N2)C3=C(C(=CC=C3)[N+](=O)[O-])OCCOS(=O)(=O)C)C4CCCCC4

InChI

InChI=1S/C25H28N2O8S/c1-33-25(28)17-11-12-18-20(15-17)26-23(22(18)16-7-4-3-5-8-16)19-9-6-10-21(27(29)30)24(19)34-13-14-35-36(2,31)32/h6,9-12,15-16,26H,3-5,7-8,13-14H2,1-2H3