(2S)-2-(4-fluoranylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]propanamide

Systemtic Name: (2S)-2-(4-fluoranylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]propanamide Openeye Name: (2S)-2-(4-fluorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2S)-2-(4-fluorophenoxy)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-fluorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]propanamide Traditional Name: (2S)-2-(4-fluorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]propionamide Formula: C25H34FN4O4S+ MolecularWeight: 505.625263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CC[NH+](CC3)C)OC4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CC[NH+](CC3)C)OC4=CC=C(C=C4)F

InChI

InChI=1S/C25H33FN4O4S/c1-19(34-21-8-6-20(26)7-9-21)25(31)27-23-18-22(35(32,33)30-12-4-3-5-13-30)10-11-24(23)29-16-14-28(2)15-17-29/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,27,31)/p+1/t19-/m0/s1