3-phenylpropyl 5-oxidanylidene-5-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-(4-pyrrolidin-1-ylsulfonylanilino)pentanoate CAS Name: 5-oxo-5-[4-(1-pyrrolidinylsulfonyl)anilino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-(4-pyrrolidin-1-ylsulfonylanilino)pentanoate Traditional Name: 5-keto-5-(4-pyrrolidinosulfonylanilino)valeric acid 3-phenylpropyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c27-23(11-6-12-24(28)31-19-7-10-20-8-2-1-3-9-20)25-21-13-15-22(16-14-21)32(29,30)26-17-4-5-18-26/h1-3,8-9,13-16H,4-7,10-12,17-19H2,(H,25,27)