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

Systemtic Name: [2-[ethyl(prop-2-ynyl)amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[ethyl(prop-2-ynyl)amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[ethyl(prop-2-ynyl)amino]phenyl] ester IUPAC Name: [2-[ethyl(prop-2-ynyl)amino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[ethyl(propargyl)amino]phenyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC#C)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC#C)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H19NO3S/c1-4-14-19(5-2)17-8-6-7-9-18(17)22-23(20,21)16-12-10-15(3)11-13-16/h1,6-13H,5,14H2,2-3H3