N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-tosyl-isonipecotamide Formula: C25H33FN3O4S+ MolecularWeight: 490.610623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=C(C=C3)F)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](C3=CC=C(C=C3)F)[NH+]4CCOCC4

InChI

InChI=1S/C25H32FN3O4S/c1-19-2-8-23(9-3-19)34(31,32)29-12-10-21(11-13-29)25(30)27-18-24(28-14-16-33-17-15-28)20-4-6-22(26)7-5-20/h2-9,21,24H,10-18H2,1H3,(H,27,30)/p+1/t24-/m1/s1