(2R)-N-(3-cyanophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C20H22FN4O3S+ MolecularWeight: 417.477083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O3S/c1-15(20(26)23-18-4-2-3-16(13-18)14-22)24-9-11-25(12-10-24)29(27,28)19-7-5-17(21)6-8-19/h2-8,13,15H,9-12H2,1H3,(H,23,26)/p+1/t15-/m1/s1