methanesulfonic acid; N-[4-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: methanesulfonic acid; N-[4-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: methanesulfonic acid; N-[4-[1-[2-(2-thienyl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide CAS Name: methanesulfonic acid; N-[4-[oxo-[1-(2-thiophen-2-ylethyl)-4-piperidinyl]methyl]phenyl]methanesulfonamide IUPAC Name: methanesulfonic acid; N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide Traditional Name: mesylic acid; N-[4-[1-[2-(2-thienyl)ethyl]isonipecotoyl]phenyl]methanesulfonamide Formula: C20H28N2O6S3 MolecularWeight: 488.64112

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCC3=CC=CS3.CS(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCC3=CC=CS3.CS(=O)(=O)O

InChI

InChI=1S/C19H24N2O3S2.CH4O3S/c1-26(23,24)20-17-6-4-15(5-7-17)19(22)16-8-11-21(12-9-16)13-10-18-3-2-14-25-18;1-5(2,3)4/h2-7,14,16,20H,8-13H2,1H3;1H3,(H,2,3,4)