[4-(2-azanyl-2-oxidanylidene-1-phenylmethoxy-ethyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-1-phenylmethoxy-ethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-amino-1-benzyloxy-2-oxo-ethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-amino-2-oxo-1-phenylmethoxyethyl)phenyl] ester IUPAC Name: [4-(2-amino-2-oxo-1-phenylmethoxyethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-amino-1-benzoxy-2-keto-ethyl)phenyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C(=O)N)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C(=O)N)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5S/c1-16-7-13-20(14-8-16)29(25,26)28-19-11-9-18(10-12-19)21(22(23)24)27-15-17-5-3-2-4-6-17/h2-14,21H,15H2,1H3,(H2,23,24)