N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-besyl-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]propionamide Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)CCS(=O)(=O)C2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC(=O)CCS(=O)(=O)C2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C20H26N2O4S/c23-20(11-15-27(24,25)17-8-3-1-4-9-17)21-16-18(19-10-7-14-26-19)22-12-5-2-6-13-22/h1,3-4,7-10,14,18H,2,5-6,11-13,15-16H2,(H,21,23)/p+1/t18-/m1/s1