(1-imidazol-1-yl-4-naphthalen-2-yl-butan-2-yl) methanesulfonate

Systemtic Name: (1-imidazol-1-yl-4-naphthalen-2-yl-butan-2-yl) methanesulfonate Openeye Name: [1-(imidazol-1-ylmethyl)-3-(2-naphthyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [1-(1-imidazolyl)-4-(2-naphthalenyl)butan-2-yl] ester IUPAC Name: (1-imidazol-1-yl-4-naphthalen-2-ylbutan-2-yl) methanesulfonate Traditional Name: methanesulfonic acid [1-(imidazol-1-ylmethyl)-3-(2-naphthyl)propyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCC1=CC2=CC=CC=C2C=C1)CN3C=CN=C3

Isomeric SMILES

CS(=O)(=O)OC(CCC1=CC2=CC=CC=C2C=C1)CN3C=CN=C3

InChI

InChI=1S/C18H20N2O3S/c1-24(21,22)23-18(13-20-11-10-19-14-20)9-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-6,8,10-12,14,18H,7,9,13H2,1H3