2-cyano-N-[1-(phenylsulfonyl)piperidin-4-yl]ethanamide; methanesulfonic acid

Systemtic Name: 2-cyano-N-[1-(phenylsulfonyl)piperidin-4-yl]ethanamide; methanesulfonic acid Openeye Name: N-[1-(benzenesulfonyl)-4-piperidyl]-2-cyano-acetamide; methanesulfonic acid CAS Name: N-[1-(benzenesulfonyl)-4-piperidinyl]-2-cyanoacetamide; methanesulfonic acid IUPAC Name: N-[1-(benzenesulfonyl)piperidin-4-yl]-2-cyanoacetamide; methanesulfonic acid Traditional Name: N-(1-besyl-4-piperidyl)-2-cyano-acetamide; mesylic acid Formula: C15H21N3O6S2 MolecularWeight: 403.47374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCC1NC(=O)CC#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCC1NC(=O)CC#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O3S.CH4O3S/c15-9-6-14(18)16-12-7-10-17(11-8-12)21(19,20)13-4-2-1-3-5-13;1-5(2,3)4/h1-5,12H,6-8,10-11H2,(H,16,18);1H3,(H,2,3,4)