2,3-dimethoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-1-ium-2-yl]methyl]-5-sulfamoyl-benzamide

Systemtic Name: 2,3-dimethoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-1-ium-2-yl]methyl]-5-sulfamoyl-benzamide Openeye Name: N-[[(2S)-1-allylpyrrolidin-1-ium-2-yl]methyl]-2,3-dimethoxy-5-sulfamoyl-benzamide CAS Name: 2,3-dimethoxy-N-[[(2S)-1-prop-2-enyl-2-pyrrolidin-1-iumyl]methyl]-5-sulfamoylbenzamide IUPAC Name: 2,3-dimethoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-1-ium-2-yl]methyl]-5-sulfamoylbenzamide Traditional Name: N-[[(2S)-1-allylpyrrolidin-1-ium-2-yl]methyl]-2,3-dimethoxy-5-sulfamoyl-benzamide Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)N)C(=O)NCC2CCC[NH+]2CC=C)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)N)C(=O)NC[C@@H]2CCC[NH+]2CC=C)OC

InChI

InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)/p+1/t12-/m0/s1