2-bromanyl-N-[[(3R)-1-cyclopropylpyrrolidin-1-ium-3-yl]methyl]-5-(cyclopropylsulfamoyl)benzamide

Systemtic Name: 2-bromanyl-N-[[(3R)-1-cyclopropylpyrrolidin-1-ium-3-yl]methyl]-5-(cyclopropylsulfamoyl)benzamide Openeye Name: 2-bromo-N-[[(3R)-1-cyclopropylpyrrolidin-1-ium-3-yl]methyl]-5-(cyclopropylsulfamoyl)benzamide CAS Name: 2-bromo-N-[[(3R)-1-cyclopropyl-3-pyrrolidin-1-iumyl]methyl]-5-(cyclopropylsulfamoyl)benzamide IUPAC Name: 2-bromo-N-[[(3R)-1-cyclopropylpyrrolidin-1-ium-3-yl]methyl]-5-(cyclopropylsulfamoyl)benzamide Traditional Name: 2-bromo-N-[[(3R)-1-cyclopropylpyrrolidin-1-ium-3-yl]methyl]-5-(cyclopropylsulfamoyl)benzamide Formula: C18H25BrN3O3S+ MolecularWeight: 443.3784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCC3CC[NH+](C3)C4CC4

Isomeric SMILES

C1C[NH+](C[C@H]1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)Br)C4CC4

InChI

InChI=1S/C18H24BrN3O3S/c19-17-6-5-15(26(24,25)21-13-1-2-13)9-16(17)18(23)20-10-12-7-8-22(11-12)14-3-4-14/h5-6,9,12-14,21H,1-4,7-8,10-11H2,(H,20,23)/p+1/t12-/m1/s1