ethyl 2-[6-[(4-methylsulfonylphenyl)carbonylamino]hexanoylamino]ethanoate

Systemtic Name: ethyl 2-[6-[(4-methylsulfonylphenyl)carbonylamino]hexanoylamino]ethanoate Openeye Name: ethyl 2-[6-[(4-methylsulfonylbenzoyl)amino]hexanoylamino]acetate CAS Name: 2-[[6-[[(4-methylsulfonylphenyl)-oxomethyl]amino]-1-oxohexyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[(4-methylsulfonylbenzoyl)amino]hexanoylamino]acetate Traditional Name: 2-[6-[(4-mesylbenzoyl)amino]hexanoylamino]acetic acid ethyl ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CCCCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CNC(=O)CCCCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C18H26N2O6S/c1-3-26-17(22)13-20-16(21)7-5-4-6-12-19-18(23)14-8-10-15(11-9-14)27(2,24)25/h8-11H,3-7,12-13H2,1-2H3,(H,19,23)(H,20,21)