2-[[3-(3-morpholin-4-ylpropylamino)-3-oxidanylidene-propyl]-(4-phenylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(3-morpholin-4-ylpropylamino)-3-oxidanylidene-propyl]-(4-phenylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[[3-(3-morpholinopropylamino)-3-oxo-propyl]-(4-phenylphenyl)sulfonyl-amino]acetic acid CAS Name: 2-[[3-[3-(4-morpholinyl)propylamino]-3-oxopropyl]-(4-phenylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-(4-phenylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[[3-keto-3-(3-morpholinopropylamino)propyl]-(4-phenylphenyl)sulfonyl-amino]acetic acid Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)CCN(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1COCCN1CCCNC(=O)CCN(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O6S/c28-23(25-12-4-13-26-15-17-33-18-16-26)11-14-27(19-24(29)30)34(31,32)22-9-7-21(8-10-22)20-5-2-1-3-6-20/h1-3,5-10H,4,11-19H2,(H,25,28)(H,29,30)