(2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]propionamide Formula: C23H32ClN4O4S+ MolecularWeight: 496.04258

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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)CC4=CC=CO4

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)[NH+]3CCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C23H31ClN4O4S/c1-18(27-13-11-26(12-14-27)17-19-6-5-15-32-19)23(29)25-22-16-20(7-8-21(22)24)33(30,31)28-9-3-2-4-10-28/h5-8,15-16,18H,2-4,9-14,17H2,1H3,(H,25,29)/p+1/t18-/m1/s1