[2-[methyl(prop-2-ynyl)amino]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[methyl(prop-2-ynyl)amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[methyl(prop-2-ynyl)amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[methyl(prop-2-ynyl)amino]phenyl] ester IUPAC Name: [2-[methyl(prop-2-ynyl)amino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[methyl(propargyl)amino]phenyl] ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N(C)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N(C)CC#C

InChI

InChI=1S/C17H17NO3S/c1-4-13-18(3)16-7-5-6-8-17(16)21-22(19,20)15-11-9-14(2)10-12-15/h1,5-12H,13H2,2-3H3