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

Systemtic Name: [2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(3,4-dichlorophenyl)-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-(3,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(3,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C21H17Cl2NO5S MolecularWeight: 466.33438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H17Cl2NO5S/c22-18-8-6-16(12-19(18)23)20(25)13-29-21(26)9-10-24-30(27,28)17-7-5-14-3-1-2-4-15(14)11-17/h1-8,11-12,24H,9-10,13H2