phenacyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate

Systemtic Name: phenacyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Openeye Name: phenacyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butanoic acid phenacyl ester IUPAC Name: phenacyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butyric acid phenacyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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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=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-15-10-11-18(13-16(15)2)27(24,25)21-12-6-9-20(23)26-14-19(22)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,21H,6,9,12,14H2,1-2H3