(2R)-2-[4-[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-2-[4-[5-(diethylsulfamoyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-[4-[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C21H31N5O3S+2 MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H29N5O3S/c1-3-26(4-2)30(28,29)18-10-11-19(23-16-18)24-12-14-25(15-13-24)20(21(22)27)17-8-6-5-7-9-17/h5-11,16,20H,3-4,12-15H2,1-2H3,(H2,22,27)/p+2/t20-/m1/s1