4-[2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]ethyl]benzenesulfonamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H25N5O2S/c22-29(27,28)17-9-7-16(8-10-17)11-12-23-21-18-5-1-2-6-19(18)24-20(25-21)15-26-13-3-4-14-26/h1-2,5-10H,3-4,11-15H2,(H2,22,27,28)(H,23,24,25)/p+1