2-[3-(4-tert-butylphenyl)sulfonyl-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[3-(4-tert-butylphenyl)sulfonyl-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[3-(4-tert-butylphenyl)sulfonyl-2-hydroxy-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[3-(4-tert-butylphenyl)sulfonyl-2-hydroxypropyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[3-(4-tert-butylphenyl)sulfonyl-2-hydroxypropyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[3-(4-tert-butylphenyl)sulfonyl-2-hydroxy-propyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC(CSC2=NC3=C(CCCC3)C=C2C#N)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC(CSC2=NC3=C(CCCC3)C=C2C#N)O

InChI

InChI=1S/C23H28N2O3S2/c1-23(2,3)18-8-10-20(11-9-18)30(27,28)15-19(26)14-29-22-17(13-24)12-16-6-4-5-7-21(16)25-22/h8-12,19,26H,4-7,14-15H2,1-3H3