2-(3-octylsulfonyl-2-oxidanyl-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(3-octylsulfonyl-2-oxidanyl-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(2-hydroxy-3-octylsulfonyl-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(2-hydroxy-3-octylsulfonylpropyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(2-hydroxy-3-octylsulfonylpropyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(2-hydroxy-3-octylsulfonyl-propyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H32N2O3S2 MolecularWeight: 424.62038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)CC(CSC1=NC2=C(CCCC2)C=C1C#N)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)CC(CSC1=NC2=C(CCCC2)C=C1C#N)O

InChI

InChI=1S/C21H32N2O3S2/c1-2-3-4-5-6-9-12-28(25,26)16-19(24)15-27-21-18(14-22)13-17-10-7-8-11-20(17)23-21/h13,19,24H,2-12,15-16H2,1H3