(2S)-N-cyclopropyl-2-[4-(4-fluoranyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-(4-fluoranyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-(4-fluoro-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-(4-fluoro-2-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(4-fluoro-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C17H25FN3O3S+ MolecularWeight: 370.462103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3CC3

InChI

InChI=1S/C17H24FN3O3S/c1-12-11-14(18)3-6-16(12)25(23,24)21-9-7-20(8-10-21)13(2)17(22)19-15-4-5-15/h3,6,11,13,15H,4-5,7-10H2,1-2H3,(H,19,22)/p+1/t13-/m0/s1