N-[[2-(3,5-ditert-butylphenyl)-1-methyl-6-methylsulfonyl-quinolin-4-ylidene]amino]hexadecane-1-sulfonamide

Systemtic Name: N-[[2-(3,5-ditert-butylphenyl)-1-methyl-6-methylsulfonyl-quinolin-4-ylidene]amino]hexadecane-1-sulfonamide Openeye Name: N-[[2-(3,5-ditert-butylphenyl)-1-methyl-6-methylsulfonyl-4-quinolylidene]amino]hexadecane-1-sulfonamide CAS Name: N-[[2-(3,5-ditert-butylphenyl)-1-methyl-6-methylsulfonyl-4-quinolinylidene]amino]-1-hexadecanesulfonamide IUPAC Name: N-[[2-(3,5-ditert-butylphenyl)-1-methyl-6-methylsulfonylquinolin-4-ylidene]amino]hexadecane-1-sulfonamide Traditional Name: N-[[2-(3,5-ditert-butylphenyl)-6-mesyl-1-methyl-4-quinolylidene]amino]hexadecane-1-sulfonamide Formula: C41H65N3O4S2 MolecularWeight: 728.1025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NN=C1C=C(N(C2=C1C=C(C=C2)S(=O)(=O)C)C)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NN=C1C=C(N(C2=C1C=C(C=C2)S(=O)(=O)C)C)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C41H65N3O4S2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-50(47,48)43-42-37-31-39(44(8)38-25-24-35(30-36(37)38)49(9,45)46)32-27-33(40(2,3)4)29-34(28-32)41(5,6)7/h24-25,27-31,43H,10-23,26H2,1-9H3