4-[2-oxidanyl-3-(3-propylsulfinylpropylamino)pentan-3-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[2-oxidanyl-3-(3-propylsulfinylpropylamino)pentan-3-yl]oxybenzenecarbonitrile Openeye Name: 4-[1-ethyl-2-hydroxy-1-(3-propylsulfinylpropylamino)propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-(3-propylsulfinylpropylamino)pentan-3-yl]oxybenzonitrile IUPAC Name: 4-[2-hydroxy-3-(3-propylsulfinylpropylamino)pentan-3-yl]oxybenzonitrile Traditional Name: 4-[1-ethyl-2-hydroxy-1-(3-propylsulfinylpropylamino)propoxy]benzonitrile Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CCCNC(CC)(C(C)O)OC1=CC=C(C=C1)C#N

Isomeric SMILES

CCCS(=O)CCCNC(CC)(C(C)O)OC1=CC=C(C=C1)C#N

InChI

InChI=1S/C18H28N2O3S/c1-4-12-24(22)13-6-11-20-18(5-2,15(3)21)23-17-9-7-16(14-19)8-10-17/h7-10,15,20-21H,4-6,11-13H2,1-3H3