2-[1-(azepan-3-yloxy)hexyl]quinoline; [2-ethyl-3,6-bis(oxidanyl)phenyl]methanesulfonamide

Systemtic Name: 2-[1-(azepan-3-yloxy)hexyl]quinoline; [2-ethyl-3,6-bis(oxidanyl)phenyl]methanesulfonamide Openeye Name: 2-[1-(azepan-3-yloxy)hexyl]quinoline; (2-ethyl-3,6-dihydroxy-phenyl)methanesulfonamide CAS Name: 2-[1-(3-azepanyloxy)hexyl]quinoline; (2-ethyl-3,6-dihydroxyphenyl)methanesulfonamide IUPAC Name: 2-[1-(azepan-3-yloxy)hexyl]quinoline; (2-ethyl-3,6-dihydroxyphenyl)methanesulfonamide Traditional Name: 2-[1-(azepan-3-yloxy)hexyl]quinoline; (2-ethyl-3,6-dihydroxy-phenyl)methanesulfonamide Formula: C30H43N3O5S MolecularWeight: 557.74452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=NC2=CC=CC=C2C=C1)OC3CCCCNC3.CCC1=C(C=CC(=C1CS(=O)(=O)N)O)O

Isomeric SMILES

CCCCCC(C1=NC2=CC=CC=C2C=C1)OC3CCCCNC3.CCC1=C(C=CC(=C1CS(=O)(=O)N)O)O

InChI

InChI=1S/C21H30N2O.C9H13NO4S/c1-2-3-4-12-21(24-18-10-7-8-15-22-16-18)20-14-13-17-9-5-6-11-19(17)23-20;1-2-6-7(5-15(10,13)14)9(12)4-3-8(6)11/h5-6,9,11,13-14,18,21-22H,2-4,7-8,10,12,15-16H2,1H3;3-4,11-12H,2,5H2,1H3,(H2,10,13,14)