[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C26H25NO7S MolecularWeight: 495.5442

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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)NC3CCOC4=CC=CC=C34

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NC3CCOC4=CC=CC=C34

InChI

InChI=1S/C26H25NO7S/c1-17-11-12-18(2)24(15-17)35(30,31)34-23-10-6-4-8-20(23)26(29)33-16-25(28)27-21-13-14-32-22-9-5-3-7-19(21)22/h3-12,15,21H,13-14,16H2,1-2H3,(H,27,28)