methyl 2-(decylsulfonylamino)-4-phenyl-butanoate

Systemtic Name: methyl 2-(decylsulfonylamino)-4-phenyl-butanoate Openeye Name: methyl 2-(decylsulfonylamino)-4-phenyl-butanoate CAS Name: 2-(decylsulfonylamino)-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-(decylsulfonylamino)-4-phenylbutanoate Traditional Name: 2-(decylsulfonylamino)-4-phenyl-butyric acid methyl ester Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCS(=O)(=O)NC(CCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCS(=O)(=O)NC(CCC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C21H35NO4S/c1-3-4-5-6-7-8-9-13-18-27(24,25)22-20(21(23)26-2)17-16-19-14-11-10-12-15-19/h10-12,14-15,20,22H,3-9,13,16-18H2,1-2H3