[2-ethyl-3,6-bis(oxidanyl)phenyl]methanesulfonamide; 3-(1-pyridin-2-ylhexoxy)azepane

Systemtic Name: [2-ethyl-3,6-bis(oxidanyl)phenyl]methanesulfonamide; 3-(1-pyridin-2-ylhexoxy)azepane Openeye Name: (2-ethyl-3,6-dihydroxy-phenyl)methanesulfonamide; 3-[1-(2-pyridyl)hexoxy]azepane CAS Name: (2-ethyl-3,6-dihydroxyphenyl)methanesulfonamide; 3-[1-(2-pyridinyl)hexoxy]azepane IUPAC Name: (2-ethyl-3,6-dihydroxyphenyl)methanesulfonamide; 3-(1-pyridin-2-ylhexoxy)azepane Traditional Name: (2-ethyl-3,6-dihydroxy-phenyl)methanesulfonamide; 3-[1-(2-pyridyl)hexoxy]azepane Formula: C26H41N3O5S MolecularWeight: 507.68584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=N1)OC2CCCCNC2.CCC1=C(C=CC(=C1CS(=O)(=O)N)O)O

Isomeric SMILES

CCCCCC(C1=CC=CC=N1)OC2CCCCNC2.CCC1=C(C=CC(=C1CS(=O)(=O)N)O)O

InChI

InChI=1S/C17H28N2O.C9H13NO4S/c1-2-3-4-11-17(16-10-6-8-13-19-16)20-15-9-5-7-12-18-14-15;1-2-6-7(5-15(10,13)14)9(12)4-3-8(6)11/h6,8,10,13,15,17-18H,2-5,7,9,11-12,14H2,1H3;3-4,11-12H,2,5H2,1H3,(H2,10,13,14)