3-[2-(phenylmethyl)indazol-4-yl]oxypropyl 4-methylbenzenesulfonate

Systemtic Name: 3-[2-(phenylmethyl)indazol-4-yl]oxypropyl 4-methylbenzenesulfonate Openeye Name: 3-(2-benzylindazol-4-yl)oxypropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[[2-(phenylmethyl)-4-indazolyl]oxy]propyl ester IUPAC Name: 3-(2-benzylindazol-4-yl)oxypropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(2-benzylindazol-4-yl)oxypropyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=CC=CC3=NN(C=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=CC=CC3=NN(C=C32)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4S/c1-19-11-13-21(14-12-19)31(27,28)30-16-6-15-29-24-10-5-9-23-22(24)18-26(25-23)17-20-7-3-2-4-8-20/h2-5,7-14,18H,6,15-17H2,1H3