[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C26H27NO6S MolecularWeight: 481.56068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO6S/c1-19-14-15-20(2)24(17-19)34(30,31)33-23-13-7-6-12-22(23)26(29)32-18-25(28)27-16-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-15,17H,8,11,16,18H2,1-2H3,(H,27,28)