ethyl N-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylmethyl]carbamate

Systemtic Name: ethyl N-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylmethyl]carbamate Openeye Name: ethyl N-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylmethyl]carbamate CAS Name: N-[[4-[2-[(1-oxo-3-phenylpropyl)amino]ethyl]phenyl]sulfonylmethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylmethyl]carbamate Traditional Name: N-[[4-[2-(hydrocinnamoylamino)ethyl]phenyl]sulfonylmethyl]carbamic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCS(=O)(=O)C1=CC=C(C=C1)CCNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)NCS(=O)(=O)C1=CC=C(C=C1)CCNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-2-28-21(25)23-16-29(26,27)19-11-8-18(9-12-19)14-15-22-20(24)13-10-17-6-4-3-5-7-17/h3-9,11-12H,2,10,13-16H2,1H3,(H,22,24)(H,23,25)