(2S)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C23H31ClN5O3S+ MolecularWeight: 493.04194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN5O3S/c1-18(27-13-15-28(16-14-27)22-7-3-4-10-25-22)23(30)26-21-17-19(8-9-20(21)24)33(31,32)29-11-5-2-6-12-29/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3,(H,26,30)/p+1/t18-/m0/s1