methanesulfonic acid; 2-[4-(phenylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)ethanone

Systemtic Name: methanesulfonic acid; 2-[4-(phenylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-(4-benzylpiperazin-1-yl)-1-(4-phenylphenyl)ethanone; methanesulfonic acid CAS Name: methanesulfonic acid; 2-[4-(phenylmethyl)-1-piperazinyl]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-(4-benzylpiperazin-1-yl)-1-(4-phenylphenyl)ethanone; methanesulfonic acid Traditional Name: 2-(4-benzylpiperazino)-1-(4-phenylphenyl)ethanone; mesylic acid Formula: C27H34N2O7S2 MolecularWeight: 562.69806

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O.2CH4O3S/c28-25(24-13-11-23(12-14-24)22-9-5-2-6-10-22)20-27-17-15-26(16-18-27)19-21-7-3-1-4-8-21;2*1-5(2,3)4/h1-14H,15-20H2;2*1H3,(H,2,3,4)