N-[4-(4-oxidanyl-3-propan-2-yl-phenyl)sulfanylphenyl]pentacosane-1-sulfonamide

Systemtic Name: N-[4-(4-oxidanyl-3-propan-2-yl-phenyl)sulfanylphenyl]pentacosane-1-sulfonamide Openeye Name: N-[4-(4-hydroxy-3-isopropyl-phenyl)sulfanylphenyl]pentacosane-1-sulfonamide CAS Name: N-[4-[(4-hydroxy-3-propan-2-ylphenyl)thio]phenyl]-1-pentacosanesulfonamide IUPAC Name: N-[4-(4-hydroxy-3-propan-2-ylphenyl)sulfanylphenyl]pentacosane-1-sulfonamide Traditional Name: N-[4-[(4-hydroxy-3-isopropyl-phenyl)thio]phenyl]pentacosane-1-sulfonamide Formula: C40H67NO3S2 MolecularWeight: 674.09488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)SC2=CC(=C(C=C2)O)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)SC2=CC(=C(C=C2)O)C(C)C

InChI

InChI=1S/C40H67NO3S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33-46(43,44)41-36-27-29-37(30-28-36)45-38-31-32-40(42)39(34-38)35(2)3/h27-32,34-35,41-42H,4-26,33H2,1-3H3