3-[3-tert-butyl-5-(octylsulfinylmethyl)-4-oxidanyl-phenyl]-N-(4-phenylazanylphenyl)propanamide

Systemtic Name: 3-[3-tert-butyl-5-(octylsulfinylmethyl)-4-oxidanyl-phenyl]-N-(4-phenylazanylphenyl)propanamide Openeye Name: N-(4-anilinophenyl)-3-[3-tert-butyl-4-hydroxy-5-(octylsulfinylmethyl)phenyl]propanamide CAS Name: N-(4-anilinophenyl)-3-[3-tert-butyl-4-hydroxy-5-(octylsulfinylmethyl)phenyl]propanamide IUPAC Name: N-(4-anilinophenyl)-3-[3-tert-butyl-4-hydroxy-5-(octylsulfinylmethyl)phenyl]propanamide Traditional Name: N-(4-anilinophenyl)-3-[3-tert-butyl-4-hydroxy-5-(octylsulfinylmethyl)phenyl]propionamide Formula: C34H46N2O3S MolecularWeight: 562.80564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)CC1=C(C(=CC(=C1)CCC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCS(=O)CC1=C(C(=CC(=C1)CCC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C(C)(C)C)O

InChI

InChI=1S/C34H46N2O3S/c1-5-6-7-8-9-13-22-40(39)25-27-23-26(24-31(33(27)38)34(2,3)4)16-21-32(37)36-30-19-17-29(18-20-30)35-28-14-11-10-12-15-28/h10-12,14-15,17-20,23-24,35,38H,5-9,13,16,21-22,25H2,1-4H3,(H,36,37)