(2S)-2-[(4-methylpiperidin-1-yl)sulfonylazaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[(4-methylpiperidin-1-yl)sulfonylazaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[(4-methyl-1-piperidyl)sulfonylammonio]-2-phenyl-acetate CAS Name: (2S)-2-[(4-methyl-1-piperidinyl)sulfonylammonio]-2-phenylacetate IUPAC Name: (2S)-2-[(4-methylpiperidin-1-yl)sulfonylazaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[(4-methylpiperidino)sulfonylammonio]-2-phenyl-acetate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)[NH2+]C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)[NH2+][C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-11-7-9-16(10-8-11)21(19,20)15-13(14(17)18)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,17,18)/t13-/m0/s1