methanesulfonic acid; 2-(4-methylpiperazin-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: methanesulfonic acid; 2-(4-methylpiperazin-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: methanesulfonic acid; 2-(4-methylpiperazin-1-yl)ethyl 2-(6-methoxy-2-naphthyl)propanoate CAS Name: methanesulfonic acid; 2-(6-methoxy-2-naphthalenyl)propanoic acid 2-(4-methyl-1-piperazinyl)ethyl ester IUPAC Name: methanesulfonic acid; 2-(4-methylpiperazin-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: mesylic acid; 2-(6-methoxy-2-naphthyl)propionic acid 2-(4-methylpiperazino)ethyl ester Formula: C23H36N2O9S2 MolecularWeight: 548.66994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)C.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)C.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C21H28N2O3.2CH4O3S/c1-16(21(24)26-13-12-23-10-8-22(2)9-11-23)17-4-5-19-15-20(25-3)7-6-18(19)14-17;2*1-5(2,3)4/h4-7,14-16H,8-13H2,1-3H3;2*1H3,(H,2,3,4)