methanesulfonic acid; 2-piperazin-1-ylethyl 2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: methanesulfonic acid; 2-piperazin-1-ylethyl 2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: methanesulfonic acid; 2-piperazin-1-ylethyl 2-(6-methoxy-2-naphthyl)propanoate CAS Name: methanesulfonic acid; 2-(6-methoxy-2-naphthalenyl)propanoic acid 2-(1-piperazinyl)ethyl ester IUPAC Name: methanesulfonic acid; 2-piperazin-1-ylethyl 2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: mesylic acid; 2-(6-methoxy-2-naphthyl)propionic acid 2-piperazinoethyl ester Formula: C22H34N2O9S2 MolecularWeight: 534.64336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCNCC3.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCNCC3.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C20H26N2O3.2CH4O3S/c1-15(20(23)25-12-11-22-9-7-21-8-10-22)16-3-4-18-14-19(24-2)6-5-17(18)13-16;2*1-5(2,3)4/h3-6,13-15,21H,7-12H2,1-2H3;2*1H3,(H,2,3,4)