(4-cyanophenyl)methyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate

Systemtic Name: (4-cyanophenyl)methyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Openeye Name: (4-cyanophenyl)methyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butyric acid (4-cyanobenzyl) ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)OCC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)OCC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C20H22N2O4S/c1-15-5-10-19(12-16(15)2)27(24,25)22-11-3-4-20(23)26-14-18-8-6-17(13-21)7-9-18/h5-10,12,22H,3-4,11,14H2,1-2H3