[2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-[[2-keto-2-(propylamino)ethyl]amino]ethyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)C

Isomeric SMILES

CCCNC(=O)CNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)C

InChI

InChI=1S/C16H22N2O6S/c1-4-7-17-14(19)9-18-15(20)10-24-16(21)13-8-12(25(3,22)23)6-5-11(13)2/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,19)(H,18,20)