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

Systemtic Name: 4-[3-[ethyl(3-propylsulfinylpropyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[ethyl(3-propylsulfinylpropyl)amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[ethyl(3-propylsulfinylpropyl)amino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[ethyl(3-propylsulfinylpropyl)amino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[ethyl(3-propylsulfinylpropyl)amino]-2-hydroxy-propoxy]benzonitrile Formula: C36H56N4O6S2 MolecularWeight: 704.98304

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CCCN(CC)CC(COC1=CC=C(C=C1)C#N)O.CCCS(=O)CCCN(CC)CC(COC1=CC=C(C=C1)C#N)O

Isomeric SMILES

CCCS(=O)CCCN(CC)CC(COC1=CC=C(C=C1)C#N)O.CCCS(=O)CCCN(CC)CC(COC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/2C18H28N2O3S/c2*1-3-11-24(22)12-5-10-20(4-2)14-17(21)15-23-18-8-6-16(13-19)7-9-18/h2*6-9,17,21H,3-5,10-12,14-15H2,1-2H3