4-[3-[ethyl-[3-(phenylsulfinyl)propyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[ethyl-[3-(phenylsulfinyl)propyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[3-(benzenesulfinyl)propyl-ethyl-amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[3-(benzenesulfinyl)propyl-ethylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[3-(benzenesulfinyl)propyl-ethylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[3-(benzenesulfinyl)propyl-ethyl-amino]-2-hydroxy-propoxy]benzonitrile Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)C1=CC=CC=C1)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCN(CCCS(=O)C1=CC=CC=C1)CC(COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C21H26N2O3S/c1-2-23(13-6-14-27(25)21-7-4-3-5-8-21)16-19(24)17-26-20-11-9-18(15-22)10-12-20/h3-5,7-12,19,24H,2,6,13-14,16-17H2,1H3