3-[4-(hexadecylamino)phenyl]-N-(4-methylphenyl)sulfonyl-prop-2-ynamide

Systemtic Name: 3-[4-(hexadecylamino)phenyl]-N-(4-methylphenyl)sulfonyl-prop-2-ynamide Openeye Name: 3-[4-(hexadecylamino)phenyl]-N-(p-tolylsulfonyl)prop-2-ynamide CAS Name: 3-[4-(hexadecylamino)phenyl]-N-(4-methylphenyl)sulfonyl-2-propynamide IUPAC Name: 3-[4-(hexadecylamino)phenyl]-N-(4-methylphenyl)sulfonylprop-2-ynamide Traditional Name: 3-[4-(cetylamino)phenyl]-N-tosyl-propiolamide Formula: C32H46N2O3S MolecularWeight: 538.78424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C#CC(=O)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C#CC(=O)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C32H46N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-33-30-22-19-29(20-23-30)21-26-32(35)34-38(36,37)31-24-17-28(2)18-25-31/h17-20,22-25,33H,3-16,27H2,1-2H3,(H,34,35)