N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-morpholinosulfonyl-benzamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-morpholinosulfonyl-benzamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CO4

InChI

InChI=1S/C21H27N3O5S/c25-21(22-16-19(20-7-4-12-29-20)23-8-1-2-9-23)17-5-3-6-18(15-17)30(26,27)24-10-13-28-14-11-24/h3-7,12,15,19H,1-2,8-11,13-14,16H2,(H,22,25)/p+1/t19-/m1/s1