N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C23H31ClN5O3S+ MolecularWeight: 493.04194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C23H30ClN5O3S/c24-21-8-7-20(33(31,32)29-10-4-1-5-11-29)16-22(21)26-23(30)18-28-14-12-27(13-15-28)17-19-6-2-3-9-25-19/h2-3,6-9,16H,1,4-5,10-15,17-18H2,(H,26,30)/p+1