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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCC1=CC=CC2=CC=CC=C21)CN3C=CN=C3

Isomeric SMILES

CS(=O)(=O)OC(CCC1=CC=CC2=CC=CC=C21)CN3C=CN=C3

InChI

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