[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

InChI

InChI=1S/C21H25NO5S/c1-4-5-6-16-8-10-17(11-9-16)22-20(23)14-27-21(24)19-13-18(28(3,25)26)12-7-15(19)2/h7-13H,4-6,14H2,1-3H3,(H,22,23)