N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-isopropylphenyl)sulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]piperidine-4-carboxamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-1-p-cumenylsulfonyl-isonipecotamide Formula: C25H36N3O4S2+ MolecularWeight: 506.70104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C25H35N3O4S2/c1-19(2)20-5-7-22(8-6-20)34(30,31)28-11-9-21(10-12-28)25(29)26-18-23(24-4-3-17-33-24)27-13-15-32-16-14-27/h3-8,17,19,21,23H,9-16,18H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1