methanesulfonic acid; 7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

Systemtic Name: methanesulfonic acid; 7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one Openeye Name: methanesulfonic acid; 7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one CAS Name: methanesulfonic acid; 7-[4-[(3-phenylphenyl)methyl]-1-piperazinyl]-3H-1,3-benzoxazol-2-one IUPAC Name: methanesulfonic acid; 7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one Traditional Name: mesylic acid; 7-[4-(3-phenylbenzyl)piperazino]-3H-1,3-benzoxazol-2-one Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCN1CC2=CC=CC(=C2)C3=CC=CC=C3)C4=CC=CC5=C4OC(=O)N5

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCN1CC2=CC=CC(=C2)C3=CC=CC=C3)C4=CC=CC5=C4OC(=O)N5

InChI

InChI=1S/C24H23N3O2.CH4O3S/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19;1-5(2,3)4/h1-11,16H,12-15,17H2,(H,25,28);1H3,(H,2,3,4)