[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C23H23NO5S/c1-16-7-8-20(13-17(16)2)22(25)15-29-23(26)11-12-24-30(27,28)21-10-9-18-5-3-4-6-19(18)14-21/h3-10,13-14,24H,11-12,15H2,1-2H3