phenethyl 4-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)amino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)amino]butanoate Openeye Name: phenethyl 4-oxo-4-[4-(1-piperidylsulfonyl)anilino]butanoate CAS Name: 4-oxo-4-[4-(1-piperidinylsulfonyl)anilino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butanoate Traditional Name: 4-keto-4-(4-piperidinosulfonylanilino)butyric acid phenethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S/c26-22(13-14-23(27)30-18-15-19-7-3-1-4-8-19)24-20-9-11-21(12-10-20)31(28,29)25-16-5-2-6-17-25/h1,3-4,7-12H,2,5-6,13-18H2,(H,24,26)