N-(5-bromanylquinolin-1-ium-8-yl)-2,4-bis(chloranyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(5-bromanylquinolin-1-ium-8-yl)-2,4-bis(chloranyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-bromoquinolin-1-ium-8-yl)-2,4-dichloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(5-bromo-8-quinolin-1-iumyl)-2,4-dichloro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(5-bromoquinolin-1-ium-8-yl)-2,4-dichloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-bromoquinolin-1-ium-8-yl)-2,4-dichloro-5-pyrrolidinosulfonyl-benzamide Formula: C20H17BrCl2N3O3S+ MolecularWeight: 530.24228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=[NH+]4)Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=[NH+]4)Cl)Cl

InChI

InChI=1S/C20H16BrCl2N3O3S/c21-14-5-6-17(19-12(14)4-3-7-24-19)25-20(27)13-10-18(16(23)11-15(13)22)30(28,29)26-8-1-2-9-26/h3-7,10-11H,1-2,8-9H2,(H,25,27)/p+1