ethyl 4-[[4-cyclohexyloxy-5-(methylsulfonylamino)-2-nitro-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-cyclohexyloxy-5-(methylsulfonylamino)-2-nitro-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(cyclohexoxy)-5-(methanesulfonamido)-2-nitro-anilino]-4-oxo-butanoate CAS Name: 4-[4-cyclohexyloxy-5-(methanesulfonamido)-2-nitroanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-cyclohexyloxy-5-(methanesulfonamido)-2-nitroanilino]-4-oxobutanoate Traditional Name: 4-[4-(cyclohexoxy)-5-(methanesulfonamido)-2-nitro-anilino]-4-keto-butyric acid ethyl ester Formula: C19H27N3O8S MolecularWeight: 457.49798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])OC2CCCCC2)NS(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])OC2CCCCC2)NS(=O)(=O)C

InChI

InChI=1S/C19H27N3O8S/c1-3-29-19(24)10-9-18(23)20-14-11-15(21-31(2,27)28)17(12-16(14)22(25)26)30-13-7-5-4-6-8-13/h11-13,21H,3-10H2,1-2H3,(H,20,23)