methanesulfonic acid; 2-[4-(phenylmethyl)piperazin-1-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: methanesulfonic acid; 2-[4-(phenylmethyl)piperazin-1-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 2-(4-benzylpiperazin-1-yl)ethyl 2-(6-methoxy-2-naphthyl)propanoate; methanesulfonic acid CAS Name: methanesulfonic acid; 2-(6-methoxy-2-naphthalenyl)propanoic acid 2-[4-(phenylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-(4-benzylpiperazin-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate; methanesulfonic acid Traditional Name: mesylic acid; 2-(6-methoxy-2-naphthyl)propionic acid 2-(4-benzylpiperazino)ethyl ester Formula: C29H40N2O9S2 MolecularWeight: 624.7659

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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)CC4=CC=CC=C4.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)CC4=CC=CC=C4.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C27H32N2O3.2CH4O3S/c1-21(23-8-9-25-19-26(31-2)11-10-24(25)18-23)27(30)32-17-16-28-12-14-29(15-13-28)20-22-6-4-3-5-7-22;2*1-5(2,3)4/h3-11,18-19,21H,12-17,20H2,1-2H3;2*1H3,(H,2,3,4)