(2S)-N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[4-(1-piperidylsulfonyl)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[4-(1-piperidinylsulfonyl)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-piperidinosulfonylphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C23H32N5O3S+ MolecularWeight: 458.59688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H31N5O3S/c1-19(26-15-17-27(18-16-26)22-7-3-4-12-24-22)23(29)25-20-8-10-21(11-9-20)32(30,31)28-13-5-2-6-14-28/h3-4,7-12,19H,2,5-6,13-18H2,1H3,(H,25,29)/p+1/t19-/m0/s1