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

Systemtic Name: 4-chloranyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-morpholinosulfonyl-benzamide CAS Name: 4-chloro-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-morpholinosulfonyl-benzamide Formula: C21H27ClN3O5S+ MolecularWeight: 468.97418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O5S/c22-17-6-5-16(14-20(17)31(27,28)25-9-12-29-13-10-25)21(26)23-15-18(19-4-3-11-30-19)24-7-1-2-8-24/h3-6,11,14,18H,1-2,7-10,12-13,15H2,(H,23,26)/p+1/t18-/m0/s1