[2-[3-(3-chlorophenyl)prop-2-ynyl-ethyl-amino]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[3-(3-chlorophenyl)prop-2-ynyl-ethyl-amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[3-(3-chlorophenyl)prop-2-ynyl-ethyl-amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[3-(3-chlorophenyl)prop-2-ynyl-ethylamino]phenyl] ester IUPAC Name: [2-[3-(3-chlorophenyl)prop-2-ynyl-ethylamino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[3-(3-chlorophenyl)prop-2-ynyl-ethyl-amino]phenyl] ester Formula: C24H22ClNO3S MolecularWeight: 439.95438

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC#CC1=CC(=CC=C1)Cl)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC#CC1=CC(=CC=C1)Cl)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H22ClNO3S/c1-3-26(17-7-9-20-8-6-10-21(25)18-20)23-11-4-5-12-24(23)29-30(27,28)22-15-13-19(2)14-16-22/h4-6,8,10-16,18H,3,17H2,1-2H3