(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]nipecotamide Formula: C22H29FN3O4S2+ MolecularWeight: 482.611763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC[C@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C22H28FN3O4S2/c23-18-5-7-19(8-6-18)32(28,29)26-9-1-3-17(16-26)22(27)24-15-20(21-4-2-14-31-21)25-10-12-30-13-11-25/h2,4-8,14,17,20H,1,3,9-13,15-16H2,(H,24,27)/p+1/t17-,20+/m0/s1