ethyl 3-[[5-(3-cyclohexylprop-1-ynyl)pyridin-3-yl]carbonyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[[5-(3-cyclohexylprop-1-ynyl)pyridin-3-yl]carbonyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[[5-(3-cyclohexylprop-1-ynyl)pyridine-3-carbonyl]-methylsulfonyl-amino]benzoate CAS Name: 3-[[[5-(3-cyclohexylprop-1-ynyl)-3-pyridinyl]-oxomethyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(3-cyclohexylprop-1-ynyl)pyridine-3-carbonyl]-methylsulfonylamino]benzoate Traditional Name: 3-[[5-(3-cyclohexylprop-1-ynyl)nicotinoyl]-mesyl-amino]benzoic acid ethyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5S/c1-3-32-25(29)21-13-8-14-23(16-21)27(33(2,30)31)24(28)22-15-20(17-26-18-22)12-7-11-19-9-5-4-6-10-19/h8,13-19H,3-6,9-11H2,1-2H3