(2S)-N-(4-ethylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-3-17-7-9-19(10-8-17)23-21(26)16(2)24-11-13-25(14-12-24)29(27,28)20-6-4-5-18(22)15-20/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1