4-(3-azanyl-4-ethylsulfinyl-2-oxidanyl-heptan-3-yl)oxy-2-ethyl-benzenecarbonitrile

Systemtic Name: 4-(3-azanyl-4-ethylsulfinyl-2-oxidanyl-heptan-3-yl)oxy-2-ethyl-benzenecarbonitrile Openeye Name: 4-[1-amino-2-ethylsulfinyl-1-(1-hydroxyethyl)pentoxy]-2-ethyl-benzonitrile CAS Name: 4-(3-amino-4-ethylsulfinyl-2-hydroxyheptan-3-yl)oxy-2-ethylbenzonitrile IUPAC Name: 4-(3-amino-4-ethylsulfinyl-2-hydroxyheptan-3-yl)oxy-2-ethylbenzonitrile Traditional Name: 4-[1-amino-2-ethylsulfinyl-1-(1-hydroxyethyl)pentoxy]-2-ethyl-benzonitrile Formula: C18H28N2O3S MolecularWeight: 352.49152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C)O)(N)OC1=CC(=C(C=C1)C#N)CC)S(=O)CC

Isomeric SMILES

CCCC(C(C(C)O)(N)OC1=CC(=C(C=C1)C#N)CC)S(=O)CC

InChI

InChI=1S/C18H28N2O3S/c1-5-8-17(24(22)7-3)18(20,13(4)21)23-16-10-9-15(12-19)14(6-2)11-16/h9-11,13,17,21H,5-8,20H2,1-4H3