N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(prop-2-enylsulfamoyl)benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(prop-2-enylsulfamoyl)benzamide Openeye Name: 4-(allylsulfamoyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(prop-2-enylsulfamoyl)benzamide Traditional Name: 4-(allylsulfamoyl)-N-[(2R)-2-(4-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=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C)[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-3-14-25-31(28,29)21-12-8-19(9-13-21)23(27)24-17-22(26-15-4-5-16-26)18-6-10-20(30-2)11-7-18/h3,6-13,22,25H,1,4-5,14-17H2,2H3,(H,24,27)/p+1/t22-/m0/s1