[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)NCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)NCC(C)C

InChI

InChI=1S/C21H25NO6S/c1-14(2)12-22-20(23)13-27-21(24)17-7-9-18(10-8-17)28-29(25,26)19-11-15(3)5-6-16(19)4/h5-11,14H,12-13H2,1-4H3,(H,22,23)