[7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-2,3-dihydro-1,3-benzoxazol-2-yl] methanesulfonate

Systemtic Name: [7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-2,3-dihydro-1,3-benzoxazol-2-yl] methanesulfonate Openeye Name: [7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-2,3-dihydro-1,3-benzoxazol-2-yl] methanesulfonate CAS Name: methanesulfonic acid [7-[4-[(3-phenylphenyl)methyl]-1-piperazinyl]-2,3-dihydro-1,3-benzoxazol-2-yl] ester IUPAC Name: [7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-2,3-dihydro-1,3-benzoxazol-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [7-[4-(3-phenylbenzyl)piperazino]-2,3-dihydro-1,3-benzoxazol-2-yl] ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1NC2=C(O1)C(=CC=C2)N3CCN(CC3)CC4=CC=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)OC1NC2=C(O1)C(=CC=C2)N3CCN(CC3)CC4=CC=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O4S/c1-33(29,30)32-25-26-22-11-6-12-23(24(22)31-25)28-15-13-27(14-16-28)18-19-7-5-10-21(17-19)20-8-3-2-4-9-20/h2-12,17,25-26H,13-16,18H2,1H3