N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylsulfonyl-benzamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-methylsulfonylbenzamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-4-methylsulfonylbenzamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-mesyl-benzamide Formula: C20H24FN2O4S+ MolecularWeight: 407.478963

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)F)[NH+]3CCOCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)F)[NH+]3CCOCC3

InChI

InChI=1S/C20H23FN2O4S/c1-28(25,26)18-8-4-16(5-9-18)20(24)22-14-19(23-10-12-27-13-11-23)15-2-6-17(21)7-3-15/h2-9,19H,10-14H2,1H3,(H,22,24)/p+1/t19-/m1/s1