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

Systemtic Name: (phenylmethyl) 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Openeye Name: benzyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butyric acid benzyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S/c1-15-10-11-18(13-16(15)2)25(22,23)20-12-6-9-19(21)24-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,20H,6,9,12,14H2,1-2H3