N-[4-[2-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]ethyl]phenyl]-1,2-benzoxazole-5-sulfonamide

Systemtic Name: N-[4-[2-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]ethyl]phenyl]-1,2-benzoxazole-5-sulfonamide Openeye Name: N-[4-[2-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]ethyl]phenyl]-1,2-benzoxazole-5-sulfonamide CAS Name: N-[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-1,2-benzoxazole-5-sulfonamide IUPAC Name: N-[4-[2-[[2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethyl]phenyl]-1,2-benzoxazole-5-sulfonamide Traditional Name: N-[4-[2-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]ethyl]phenyl]indoxazene-5-sulfonamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNCC(C2=CN=C(C=C2)N)O)NS(=O)(=O)C3=CC4=C(C=C3)ON=C4

Isomeric SMILES

C1=CC(=CC=C1CCNCC(C2=CN=C(C=C2)N)O)NS(=O)(=O)C3=CC4=C(C=C3)ON=C4

InChI

InChI=1S/C22H23N5O4S/c23-22-8-3-16(12-25-22)20(28)14-24-10-9-15-1-4-18(5-2-15)27-32(29,30)19-6-7-21-17(11-19)13-26-31-21/h1-8,11-13,20,24,27-28H,9-10,14H2,(H2,23,25)