N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-morpholinosulfonyl-benzamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CO4

InChI

InChI=1S/C22H29N3O5S/c26-22(23-17-20(21-5-4-14-30-21)24-10-2-1-3-11-24)18-6-8-19(9-7-18)31(27,28)25-12-15-29-16-13-25/h4-9,14,20H,1-3,10-13,15-17H2,(H,23,26)/p+1/t20-/m0/s1