N-[4-[3-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]propyl]phenyl]quinoline-3-sulfonamide

Systemtic Name: N-[4-[3-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]propyl]phenyl]quinoline-3-sulfonamide Openeye Name: N-[4-[3-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]propyl]phenyl]quinoline-3-sulfonamide CAS Name: N-[4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-3-quinolinesulfonamide IUPAC Name: N-[4-[3-[[2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]propyl]phenyl]quinoline-3-sulfonamide Traditional Name: N-[4-[3-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]propyl]phenyl]quinoline-3-sulfonamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)S(=O)(=O)NC3=CC=C(C=C3)CCCNCC(C4=CN=C(C=C4)N)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)S(=O)(=O)NC3=CC=C(C=C3)CCCNCC(C4=CN=C(C=C4)N)O

InChI

InChI=1S/C25H27N5O3S/c26-25-12-9-20(15-29-25)24(31)17-27-13-3-4-18-7-10-21(11-8-18)30-34(32,33)22-14-19-5-1-2-6-23(19)28-16-22/h1-2,5-12,14-16,24,27,30-31H,3-4,13,17H2,(H2,26,29)