N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-tosyl-propionamide Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C20H26N2O4S/c1-16-6-8-17(9-7-16)27(24,25)14-10-20(23)21-15-18(19-5-4-13-26-19)22-11-2-3-12-22/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,21,23)/p+1/t18-/m1/s1