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

Systemtic Name: [4-(2-azanyl-1-methoxy-2-oxidanylidene-ethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-amino-1-methoxy-2-oxo-ethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-amino-1-methoxy-2-oxoethyl)phenyl] ester IUPAC Name: [4-(2-amino-1-methoxy-2-oxoethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-amino-2-keto-1-methoxy-ethyl)phenyl] ester Formula: C16H17NO5S MolecularWeight: 335.37488

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5S/c1-11-3-9-14(10-4-11)23(19,20)22-13-7-5-12(6-8-13)15(21-2)16(17)18/h3-10,15H,1-2H3,(H2,17,18)