methanesulfonic acid; 1-(3-phenoxyphenyl)piperazine

Systemtic Name: methanesulfonic acid; 1-(3-phenoxyphenyl)piperazine Openeye Name: methanesulfonic acid; 1-(3-phenoxyphenyl)piperazine CAS Name: methanesulfonic acid; 1-(3-phenoxyphenyl)piperazine IUPAC Name: methanesulfonic acid; 1-(3-phenoxyphenyl)piperazine Traditional Name: mesylic acid; 1-(3-phenoxyphenyl)piperazine Formula: C18H26N2O7S2 MolecularWeight: 446.53824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C16H18N2O.2CH4O3S/c1-2-6-15(7-3-1)19-16-8-4-5-14(13-16)18-11-9-17-10-12-18;2*1-5(2,3)4/h1-8,13,17H,9-12H2;2*1H3,(H,2,3,4)