2-chloranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H27ClN5O3S+ MolecularWeight: 464.98878

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H26ClN5O3S/c1-25-10-12-26(13-11-25)20-7-4-16(15-23-20)24-21(28)18-14-17(5-6-19(18)22)31(29,30)27-8-2-3-9-27/h4-7,14-15H,2-3,8-13H2,1H3,(H,24,28)/p+1