[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butanoic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butyric acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)OCC(=O)C2=CC=CC=C2OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)OCC(=O)C2=CC=CC=C2OC)C

InChI

InChI=1S/C21H25NO6S/c1-15-10-11-17(13-16(15)2)29(25,26)22-12-6-9-21(24)28-14-19(23)18-7-4-5-8-20(18)27-3/h4-5,7-8,10-11,13,22H,6,9,12,14H2,1-3H3