[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(naphthalen-2-ylsulfonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(naphthalen-2-ylsulfonylamino)butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(2-naphthylsulfonylamino)butanoate CAS Name: 4-(2-naphthalenylsulfonylamino)butanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(naphthalen-2-ylsulfonylamino)butanoate Traditional Name: 4-(2-naphthylsulfonylamino)butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCC(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCC(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C20H20N2O5S/c23-19(18-7-3-11-21-18)14-27-20(24)8-4-12-22-28(25,26)17-10-9-15-5-1-2-6-16(15)13-17/h1-3,5-7,9-11,13,21-22H,4,8,12,14H2