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

Systemtic Name: [2-[(phenylmethyl)-prop-2-ynyl-amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[benzyl(prop-2-ynyl)amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(phenylmethyl)-prop-2-ynylamino]phenyl] ester IUPAC Name: [2-[benzyl(prop-2-ynyl)amino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[benzyl(propargyl)amino]phenyl] ester Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N(CC#C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N(CC#C)CC3=CC=CC=C3

InChI

InChI=1S/C23H21NO3S/c1-3-17-24(18-20-9-5-4-6-10-20)22-11-7-8-12-23(22)27-28(25,26)21-15-13-19(2)14-16-21/h1,4-16H,17-18H2,2H3