[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H28N4O3S/c1-17(26)23-19-8-10-21(11-9-19)29(27,28)25-14-5-7-20(16-25)24(2)15-12-18-6-3-4-13-22-18/h3-4,6,8-11,13,20H,5,7,12,14-16H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1