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

Systemtic Name: 3-phenylpropyl 4-[(4-morpholin-4-ylsulfonylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(4-morpholinosulfonylanilino)-4-oxo-butanoate CAS Name: 4-[4-(4-morpholinylsulfonyl)anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-morpholin-4-ylsulfonylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-morpholinosulfonylanilino)butyric acid 3-phenylpropyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O6S/c26-22(12-13-23(27)31-16-4-7-19-5-2-1-3-6-19)24-20-8-10-21(11-9-20)32(28,29)25-14-17-30-18-15-25/h1-3,5-6,8-11H,4,7,12-18H2,(H,24,26)