2-(2-phenylethanoylamino)propyl 4-methylbenzenesulfonate

Systemtic Name: 2-(2-phenylethanoylamino)propyl 4-methylbenzenesulfonate Openeye Name: 2-[(2-phenylacetyl)amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(1-oxo-2-phenylethyl)amino]propyl ester IUPAC Name: 2-[(2-phenylacetyl)amino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(2-phenylacetyl)amino]propyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H21NO4S/c1-14-8-10-17(11-9-14)24(21,22)23-13-15(2)19-18(20)12-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)