[2-(prop-2-ynylamino)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(prop-2-ynylamino)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(prop-2-ynylamino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(prop-2-ynylamino)phenyl] ester IUPAC Name: [2-(prop-2-ynylamino)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(propargylamino)phenyl] ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c1-3-12-17-15-6-4-5-7-16(15)20-21(18,19)14-10-8-13(2)9-11-14/h1,4-11,17H,12H2,2H3