[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6S/c1-17(25)19-10-12-20(13-11-19)31(28,29)24(2)15-22(27)30-16-21(26)23-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-16H2,1-2H3,(H,23,26)