N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(prop-2-enylsulfamoyl)benzamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(prop-2-enylsulfamoyl)benzamide Openeye Name: 3-(allylsulfamoyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide Traditional Name: 3-(allylsulfamoyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C)[NH+]3CCCC3

InChI

InChI=1S/C23H29N3O4S/c1-3-13-25-31(28,29)19-10-8-9-18(16-19)23(27)24-17-21(26-14-6-7-15-26)20-11-4-5-12-22(20)30-2/h3-5,8-12,16,21,25H,1,6-7,13-15,17H2,2H3,(H,24,27)/p+1/t21-/m0/s1