N-[4-(cyanomethyl)phenyl]-5-(3-cyclohexylprop-1-ynyl)-N-propan-2-ylsulfonyl-pyridine-3-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-5-(3-cyclohexylprop-1-ynyl)-N-propan-2-ylsulfonyl-pyridine-3-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-5-(3-cyclohexylprop-1-ynyl)-N-isopropylsulfonyl-pyridine-3-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-5-(3-cyclohexylprop-1-ynyl)-N-propan-2-ylsulfonyl-3-pyridinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-5-(3-cyclohexylprop-1-ynyl)-N-propan-2-ylsulfonylpyridine-3-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-5-(3-cyclohexylprop-1-ynyl)-N-isopropylsulfonyl-nicotinamide Formula: C26H29N3O3S MolecularWeight: 463.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2=CN=CC(=C2)C#CCC3CCCCC3

Isomeric SMILES

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2=CN=CC(=C2)C#CCC3CCCCC3

InChI

InChI=1S/C26H29N3O3S/c1-20(2)33(31,32)29(25-13-11-22(12-14-25)15-16-27)26(30)24-17-23(18-28-19-24)10-6-9-21-7-4-3-5-8-21/h11-14,17-21H,3-5,7-9,15H2,1-2H3