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

Systemtic Name: 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-chloro-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-indolin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-chloro-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-indolin-1-ylsulfonyl-benzamide Formula: C25H27ClN3O4S+ MolecularWeight: 501.01758

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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)N3CCC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C25H26ClN3O4S/c26-20-10-9-19(16-24(20)34(31,32)29-14-11-18-6-1-2-7-21(18)29)25(30)27-17-22(23-8-5-15-33-23)28-12-3-4-13-28/h1-2,5-10,15-16,22H,3-4,11-14,17H2,(H,27,30)/p+1/t22-/m1/s1