(2R)-N-[(4-fluorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[(4-fluorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(4-fluorophenyl)methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-[(4-fluorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(4-fluorobenzyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C18H23FN3O3S2+ MolecularWeight: 412.521923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22FN3O3S2/c1-14(18(23)20-13-15-4-6-16(19)7-5-15)21-8-10-22(11-9-21)27(24,25)17-3-2-12-26-17/h2-7,12,14H,8-11,13H2,1H3,(H,20,23)/p+1/t14-/m1/s1