[2-(3-phenylprop-2-ynylamino)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-phenylprop-2-ynylamino)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(3-phenylprop-2-ynylamino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-phenylprop-2-ynylamino)phenyl] ester IUPAC Name: [2-(3-phenylprop-2-ynylamino)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3-phenylprop-2-ynylamino)phenyl] ester Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2NCC#CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2NCC#CC3=CC=CC=C3

InChI

InChI=1S/C22H19NO3S/c1-18-13-15-20(16-14-18)27(24,25)26-22-12-6-5-11-21(22)23-17-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-16,23H,17H2,1H3