1-(2-phenylethanoylamino)ethyl 4-methylbenzenesulfonate

Systemtic Name: 1-(2-phenylethanoylamino)ethyl 4-methylbenzenesulfonate Openeye Name: 1-[(2-phenylacetyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[(1-oxo-2-phenylethyl)amino]ethyl ester IUPAC Name: 1-[(2-phenylacetyl)amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[(2-phenylacetyl)amino]ethyl ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S/c1-13-8-10-16(11-9-13)23(20,21)22-14(2)18-17(19)12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19)