[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-[(4-methyl-3-nitro-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-[(4-methyl-3-nitro-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 5-(4-methyl-3-nitro-anilino)-5-oxo-pentanoate CAS Name: 5-(4-methyl-3-nitroanilino)-5-oxopentanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 5-(4-methyl-3-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(4-methyl-3-nitro-anilino)valeric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C27H26N2O9S MolecularWeight: 554.56834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C27H26N2O9S/c1-18-6-14-23(15-7-18)39(35,36)38-22-12-9-20(10-13-22)25(30)17-37-27(32)5-3-4-26(31)28-21-11-8-19(2)24(16-21)29(33)34/h6-16H,3-5,17H2,1-2H3,(H,28,31)