3-phenylpropyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate CAS Name: 4-oxo-4-[4-(1-pyrrolidinylsulfonyl)anilino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate Traditional Name: 4-keto-4-(4-pyrrolidinosulfonylanilino)butyric acid 3-phenylpropyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

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