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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(4-isopropylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1-p-cumenylsulfonyl-isonipecotamide Formula: C26H38N3O4S+ MolecularWeight: 488.66262

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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=CO3)[NH+]4CCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C26H37N3O4S/c1-20(2)21-8-10-23(11-9-21)34(31,32)29-16-12-22(13-17-29)26(30)27-19-24(25-7-6-18-33-25)28-14-4-3-5-15-28/h6-11,18,20,22,24H,3-5,12-17,19H2,1-2H3,(H,27,30)/p+1/t24-/m0/s1