1-(4-aminophenyl)but-3-ynyl 4-methylbenzenesulfonate

Systemtic Name: 1-(4-aminophenyl)but-3-ynyl 4-methylbenzenesulfonate Openeye Name: 1-(4-aminophenyl)but-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(4-aminophenyl)but-3-ynyl ester IUPAC Name: 1-(4-aminophenyl)but-3-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(4-aminophenyl)but-3-ynyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC#C)C2=CC=C(C=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CC#C)C2=CC=C(C=C2)N

InChI

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