(2-oxidanyl-3-phenylazanyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanyl-3-phenylazanyl-propyl) 4-methylbenzenesulfonate Openeye Name: (3-anilino-2-hydroxy-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-anilino-2-hydroxypropyl) ester IUPAC Name: (3-anilino-2-hydroxypropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-anilino-2-hydroxy-propyl) ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC2=CC=CC=C2)O

InChI

InChI=1S/C16H19NO4S/c1-13-7-9-16(10-8-13)22(19,20)21-12-15(18)11-17-14-5-3-2-4-6-14/h2-10,15,17-18H,11-12H2,1H3