N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[5-cyano-3-ethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[5-cyano-3-ethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-cyano-3-ethyl-2,6-dioxo-pyrimidin-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(5-cyano-3-ethyl-2,6-dioxo-1-pyrimidinyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-cyano-3-ethyl-2,6-diketo-pyrimidin-1-yl)acetamide Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)C#N

InChI

InChI=1S/C22H27N5O5S/c1-3-25-14-17(13-23)21(29)27(22(25)30)15-20(28)24-18-9-8-16(2)19(12-18)33(31,32)26-10-6-4-5-7-11-26/h8-9,12,14H,3-7,10-11,15H2,1-2H3,(H,24,28)