3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-indolin-1-ylsulfonyl-benzamide CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-indolin-1-ylsulfonyl-benzamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C26H29N3O4S/c30-26(27-19-24(25-12-7-17-33-25)28-14-4-1-5-15-28)21-9-6-10-22(18-21)34(31,32)29-16-13-20-8-2-3-11-23(20)29/h2-3,6-12,17-18,24H,1,4-5,13-16,19H2,(H,27,30)/p+1/t24-/m0/s1